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Structure of 72652-32-5

Chemical Structure| 72652-32-5

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Product Details of [ 72652-32-5 ]

CAS No. :72652-32-5
Formula : C6H3BrCl3NO
M.W : 291.36
SMILES Code : ClC(Cl)(Cl)C(C1=CC(Br)=CN1)=O
MDL No. :MFCD00832836
InChI Key :CQLTVLIUJXOOGD-UHFFFAOYSA-N
Pubchem ID :2798140

Safety of [ 72652-32-5 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Computational Chemistry of [ 72652-32-5 ] Show Less

Physicochemical Properties

Num. heavy atoms 12
Num. arom. heavy atoms 5
Fraction Csp3 0.17
Num. rotatable bonds 2
Num. H-bond acceptors 1.0
Num. H-bond donors 1.0
Molar Refractivity 53.11
TPSA ?

Topological Polar Surface Area: Calculated from
Ertl P. et al. 2000 J. Med. Chem.

32.86 Ų

Lipophilicity

Log Po/w (iLOGP)?

iLOGP: in-house physics-based method implemented from
Daina A et al. 2014 J. Chem. Inf. Model.

1.92
Log Po/w (XLOGP3)?

XLOGP3: Atomistic and knowledge-based method calculated by
XLOGP program, version 3.2.2, courtesy of CCBG, Shanghai Institute of Organic Chemistry

3.27
Log Po/w (WLOGP)?

WLOGP: Atomistic method implemented from
Wildman SA and Crippen GM. 1999 J. Chem. Inf. Model.

3.33
Log Po/w (MLOGP)?

MLOGP: Topological method implemented from
Moriguchi I. et al. 1992 Chem. Pharm. Bull.
Moriguchi I. et al. 1994 Chem. Pharm. Bull.
Lipinski PA. et al. 2001 Adv. Drug. Deliv. Rev.

1.54
Log Po/w (SILICOS-IT)?

SILICOS-IT: Hybrid fragmental/topological method calculated by
FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com

3.67
Consensus Log Po/w?

Consensus Log Po/w: Average of all five predictions

2.75

Water Solubility

Log S (ESOL):?

ESOL: Topological method implemented from
Delaney JS. 2004 J. Chem. Inf. Model.

-3.88
Solubility 0.0382 mg/ml ; 0.000131 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Soluble
Log S (Ali)?

Ali: Topological method implemented from
Ali J. et al. 2012 J. Chem. Inf. Model.

-3.63
Solubility 0.0676 mg/ml ; 0.000232 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Soluble
Log S (SILICOS-IT)?

SILICOS-IT: Fragmental method calculated by
FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com

-4.3
Solubility 0.0147 mg/ml ; 0.0000504 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Moderately soluble

Pharmacokinetics

GI absorption?

Gatrointestinal absorption: according to the white of the BOILED-Egg

High
BBB permeant?

BBB permeation: according to the yolk of the BOILED-Egg

Yes
P-gp substrate?

P-glycoprotein substrate: SVM model built on 1033 molecules (training set)
and tested on 415 molecules (test set)
10-fold CV: ACC=0.72 / AUC=0.77
External: ACC=0.88 / AUC=0.94

No
CYP1A2 inhibitor?

Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set)
and tested on 3000 molecules (test set)
10-fold CV: ACC=0.83 / AUC=0.90
External: ACC=0.84 / AUC=0.91

Yes
CYP2C19 inhibitor?

Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set)
and tested on 3000 molecules (test set)
10-fold CV: ACC=0.80 / AUC=0.86
External: ACC=0.80 / AUC=0.87

Yes
CYP2C9 inhibitor?

Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set)
and tested on 2075 molecules (test set)
10-fold CV: ACC=0.78 / AUC=0.85
External: ACC=0.71 / AUC=0.81

No
CYP2D6 inhibitor?

Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set)
and tested on 1068 molecules (test set)
10-fold CV: ACC=0.79 / AUC=0.85
External: ACC=0.81 / AUC=0.87

No
CYP3A4 inhibitor?

Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set)
and tested on 2579 molecules (test set)
10-fold CV: ACC=0.77 / AUC=0.85
External: ACC=0.78 / AUC=0.86

No
Log Kp (skin permeation)?

Skin permeation: QSPR model implemented from
Potts RO and Guy RH. 1992 Pharm. Res.

-5.76 cm/s

Druglikeness

Lipinski?

Lipinski (Pfizer) filter: implemented from
Lipinski CA. et al. 2001 Adv. Drug Deliv. Rev.
MW ≤ 500
MLOGP ≤ 4.15
N or O ≤ 10
NH or OH ≤ 5

0.0
Ghose?

Ghose filter: implemented from
Ghose AK. et al. 1999 J. Comb. Chem.
160 ≤ MW ≤ 480
-0.4 ≤ WLOGP ≤ 5.6
40 ≤ MR ≤ 130
20 ≤ atoms ≤ 70

None
Veber?

Veber (GSK) filter: implemented from
Veber DF. et al. 2002 J. Med. Chem.
Rotatable bonds ≤ 10
TPSA ≤ 140

0.0
Egan?

Egan (Pharmacia) filter: implemented from
Egan WJ. et al. 2000 J. Med. Chem.
WLOGP ≤ 5.88
TPSA ≤ 131.6

0.0
Muegge?

Muegge (Bayer) filter: implemented from
Muegge I. et al. 2001 J. Med. Chem.
200 ≤ MW ≤ 600
-2 ≤ XLOGP ≤ 5
TPSA ≤ 150
Num. rings ≤ 7
Num. carbon > 4
Num. heteroatoms > 1
Num. rotatable bonds ≤ 15
H-bond acc. ≤ 10
H-bond don. ≤ 5

0.0
Bioavailability Score?

Abbott Bioavailability Score: Probability of F > 10% in rat
implemented from
Martin YC. 2005 J. Med. Chem.

0.55

Medicinal Chemistry

PAINS?

Pan Assay Interference Structures: implemented from
Baell JB. & Holloway GA. 2010 J. Med. Chem.

0.0 alert
Brenk?

Structural Alert: implemented from
Brenk R. et al. 2008 ChemMedChem

1.0 alert: heavy_metal
Leadlikeness?

Leadlikeness: implemented from
Teague SJ. 1999 Angew. Chem. Int. Ed.
250 ≤ MW ≤ 350
XLOGP ≤ 3.5
Num. rotatable bonds ≤ 7

No; 1 violation:MW<0.0
Synthetic accessibility?

Synthetic accessibility score: from 1 (very easy) to 10 (very difficult)
based on 1024 fragmental contributions (FP2) modulated by size and complexity penaties,
trained on 12'782'590 molecules and tested on 40 external molecules (r2 = 0.94)

1.85

Application In Synthesis of [ 72652-32-5 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 72652-32-5 ]

[ 72652-32-5 ] Synthesis Path-Downstream   1~35

  • 1
  • [ 35302-72-8 ]
  • [ 72652-32-5 ]
  • [ 50371-52-3 ]
  • 3
  • [ 67-56-1 ]
  • [ 72652-32-5 ]
  • [ 934-05-4 ]
YieldReaction ConditionsOperation in experiment
71% With sodium; for 0.166667h; Step 2: Methyl 4-bromo-lH-pyrrole-2-carboxylate[00174] To a dry round bottom flask containing dry MeOH (60 mL) was added sodium (5 g, 257.7 mmol) portionwise. After all the sodium was dissolved, the solution was slowly added to a flask which contained l-(4-bromo-lH-pyrrol-2-yl)- 2,2,2-trichloroethanone (50.0 g, 171.8 mmol) in MeOH (860 mL) through a dropping funnel giving a yellow reaction mixture. After the addition was complete, the reaction was stirred for an additional 10 minutes, then concentrated and cooled in an ice bath. The resulting solid that precipitated was collected by vacuum filtration and washed with water until neutral pH. The solid was dried to yield 25 g (71%) of the title compound as a white solid. LCMS (condition A): m/z = 204.0 -ve. 1H NMR (400MHz, DMSO-i¾) δ ppm: 7.16 (1H, d, 1.2H), 6.89 (1H, d, 1.2H).
71% With sodium; To a dry round bottom flask containing dry MeOH (60 mL) was added sodium (5 g, 257.7 mmol) portionwise. After all the sodium was dissolved, the solution was slowly added to a flask which contained l-(4-bromo-lH-pyrrol-2-yl)- 2,2,2-trichloroethanone (50.0 g, 171.8 mmol) in MeOH (860 mL) through a dropping funnel giving a yellow reaction mixture. After the addition was complete, the reaction was stirred for an additional 10 minutes, then concentrated and cooled in an ice bath. The resulting solid that precipitated was collected by vacuum filtration and washed with water until neutral pH. The solid was dried to yield 25 g (71%) of the title compound as a white solid. LCMS (condition A): m/z = 204.0 -ve. XH NMR (400MHz, DMSO-d6) δ ppm: 7.16 (1H, d, 1.2H), 6.89 (1H, d, 1.2H).
  • 4
  • [ 35302-72-8 ]
  • [ 72652-32-5 ]
YieldReaction ConditionsOperation in experiment
98% Step 1: Synthesis of 1-(4-Bromo-1H-pyrrol-2-yl)-2,2,2-trichloro-ethanone 2,2,2-Trichloro-1-(1H-pyrrol-2-yl)-ethanone (25 g, 117.7 mmol) was dissolved in 500 mL carbon-tetrachloride. Iodine (88 mg) was added and the mixture was cooled to 0 C. A solution of 6.03 mL bromine in 50 mL carbon tetrachloride was added dropwise over a period of 30 minutes. The stirring was continued for an additional 30 minutes at the same temperature then the reaction mixture was transferred to a separatory funnel and was washed successively with 100 mL of 10% Na2S2O3, saturated NaHCO3 and brine (2*). It was then dried (sodium sulfate) and evaporated to dryness to give 33.9 g (98%) of 1-(4-bromo-1H-pyrrol-2-yl)-2,2,2-trichloro-ethanone as a white powder. H1-NMR (DMSO-d6): δ (ppm) 12.82 (s, 1H), 7.53 (m, 1H), 7.29 (m, 1H).
93% 1-(4-bromo-1H-pyrrol-2-yl)-2,2,2-trichloro-ethanone (7). 2-trichloroacetyl pyrrole 6 (5.00 g, 23.3 mmol) was dissolved in anhydrous chloroform (20 mL). The solution was cooled to -10 C. before the drop-wise addition of bromine (1.20 mL, 23.3 mmol) to the flask. Once addition was complete the reaction was allowed to warm to room temperature on its own accord while stirring for an additional 30 minutes. The reaction was poured into water (40 mL) and extracted with chloroform (3*20 mL). The combined organic layers were washed with sat. NaHCO3 (2*30 mL), brine (1*20 mL), dried over anhydrous sodium sulfate, filtered, and evaporated to dryness. Purification of the residue by column chromatography (Hexanes/Diethyl Ether 95:5) yielded the title compound 7 (6.37 g, 93%) as an off-white solid: 1H NMR (300 MHz, DMSO-d6) δ 12.86 (s, 1H), 7.54 (s, 1H), 7.32 (s, 1H); 13C NMR (100 MHz, DMSO-d6) δ 171,67, 129.06, 122.01, 121.54, 97.60, 94.56; HRMS (FAB) calcd for C6H3BrCl3NO (M+) 288.8464, found 288.8479.
93% With bromine; In chloroform; at -10 - 20℃; for 0.5h; 1-(4-bromo-1H-pyrrol-2-yl)-2,2,2-trichloro-ethanone (7). 2-Trichloroacetyl pyrrole 6 (5.00 g, 23.3 mmol) was dissolved in anhydrous chloroform (20 mL). The solution was cooled to -10 C. before the drop-wise addition of bromine (1.20 mL, 23.3 mmol) to the flask. Once addition was complete the reaction was allowed to warm to room temperature on its own accord while stirring for an additional 30 minutes. The reaction was poured into water (40 mL) and extracted with chloroform (3×20 mL). The combined organic layers were washed with sat. NaHCO3 (2×30 mL), brine (1×20 mL), dried over anhydrous sodium sulfate, filtered, and evaporated to dryness. Purification of the residue by column chromatography (Hexanes/Diethyl Ether 95:5) yielded the title compound 7 (6.37 g, 93%) as an off-white solid: 1H NMR (300 MHz, DMSO-d6) δ 12.86 (s, 1H), 7.54 (s, 1H), 7.32 (s, 1H); 13C NMR (100 MHz, DMSO-d6) δ 171.67, 129.06, 122.01, 121.54, 97.60, 94.56; HRMS (FAB) calcd for C6H3BrCl3NO (M+) 288.8464, found 288.8479.
73% With bromine; In chloroform; at 20℃;Cooling; Example IB. 4-Bromo-2-trichloroacetylpyrrole[00119] To a solution of Example IA (21.2 g, 99 mmol) in CHCl3 (100 mL), cooled in an ice-bath, bromine (17 g, 106 mmol) was added dropwise. The resulting solution was stirred at ambient temperature for 10 min and then poured into water. The organic phase was separated, washed with saturated aq. NaHCO3 (50 mL) and water (50 mL), dried (MgSO4) and evaporated under reduced pressure. Recrystallization of the residue from hexane gave the product 4-bromo-2- trichloroacetylpyrrole (Example IB, 21 g, 73%) as an off-white solid. LC-MS, [M- H]+ = 289. 1H NMR (DMSO-d6, 300MHz): δ 12.9 (brs, IH), 7.55 (s, IH), 7.31 (s, IH).
60% With bromine; iodine; In Carbon tetrachloride; at 0℃; for 0.666667h; Preparation 5; 6-bromo-4-chloropyrrolo[l,2-b]pyridazine-3-carboxamideStep 1 : l-(4-Brom -lH-pyrrol-2-yl)-2,2,2-trichloroethanone[00173] To a 100 mL 3-neck round bottom equipped with a dropping funnel was added trichloroacetyl pyrrole (50 g, 236.4 mmol) and CC14 (1.0 L). After trichloroacetyl pyrrole was dissolved, the reaction was cooled to 0 C and iodine (0.176 g) was added to the reaction. At this time, a solution of bromine (12 mL) in CC14 (100 mL) was added dropwise very slowly to the reaction through a dropping funnel over 20 minutes and the resulting mixture was stirred at 0 C for additional 20 minutes. The resulting mixture was transferred into a separatory funnel and washed with 10% a2S203 solution, saturated aHC03 solution and brine (2x). The organic layer was dried and concentrated to give 50 g (60%) of the title compound as a white solid. LCMS (condition A): m/z = 287.8, 289.8, 290.8 -ve. XH NMR (400MHz, CDC13) δ ppm: 12.8 (1H, br.s), 7.56 (1H, m), 7.33 (1H, m).
60% With bromine;iodine; In Carbon tetrachloride; at 0℃; for 0.666667h; To a 100 niL 3-neck round bottom equipped with a dropping funnel was added trichloroacetyl pyrrole (50 g, 236.4 mmol) and CC14 (1.0 L). After trichloroacetyl pyrrole was dissolved, the reaction was cooled to 0 C and iodine (0.176 g) was added to the reaction. At this time, a solution of bromine (12 mL) in CC14 (100 mL) was added dropwise very slowly to the reaction through a dropping funnel over 20 minutes and the resulting mixture was stirred at 0 C for additional 20 minutes. The resulting mixture was transferred into a separatory funnel and washed with 10% a2S203 solution, saturated NaHCC solution and brine (2x). The organic layer was dried and concentrated to give 50 g (60%) of the title compound as a white solid. LCMS (condition A): m/z = 287.8, 289.8, 290.8 -ve. XH NMR (400MHz, CDC13) δ ppm: 12.8 (1H, br.s), 7.56 (1H, m), 7.33 (1H, m).
57% With bromine; In chloroform; at 0 - 20℃; Synthesis of 4-Bromo-2-trichloroacetylpyrrole (20) via Scheme 4; Bromine (2.12 g, 10 mmol) was added dropwise to a stirred solution of 2- trichloroacetylpyrrole (19, 1.71 g, 10.7 mmol) in CHCl3 (15 mL) at 0 C. The mixture was then stirred at 0 C for 20 min and at rt for 5 min before quenched with water. The organic layer was washed with sat. NaHCO3 and water, dried (MgSO4) and concentrated. The residue was purified by chromatography on silica gel using hexane/ethyl acetate (90: 10 to 75:25) to give 20 as a white solid (1.65 g, 57%). 1H NMR (CDCl3, 500 MHz) δ 9.21 (br. s, IH), 7.35 (dd, J = 1 .5, 2.5 Hz, I H), 7.15 (dd, J = I .5, 2.5 Hz, I H); mp 135-137 C (lit.,16 136-138 0C ).
45% With bromine; In dichloromethane; at 0 - 20℃; for 0.166667h;Inert atmosphere; To a stirring solution of pyrrole 2a (9.6 g, 0.045 mol) in CH2Cl2 (100 mL) at 0 C, was addeddropwise a solution of bromine (2.55 mL, 0.05 mol) in CH2Cl2 (20 mL). The mixture wasallowed to warm to r.t. and stirred for 10 min before being poured onto water and the organiclayer extracted from CH2Cl2 (3 x 40 mL). The combined organic extracts were washed withsat. aq. sodium bicarbonate (50 mL), water (50 mL), and dried (MgSO4). The solvent wasremoved in vacuo to give the crude product which was purified by flash chromatography (1:19EtOAc:petroleum ether) to afford the title compound 2d (6 g, 45%) as a silvery, metallic solid.Rf = 0.17 (1:19 EtOAc:petroleum ether). m.p. 134-136 C. (lit. m.p. 140-143 C).
With bromine; In chloroform; at 0 - 20℃; for 0.666667h; SYNTHETIC EXAMPLES Example 1 4-Bromo 2-trichloracetyl pyrrole: A solution of 2-trichloracetyl pyrrole (10.6 g, 50 MMOL) in CHC13 (10 mL) was cooled to 0 C and to this solution bromine (8.53 g, 53.5 MMOL) was added in a dropwise fashion. The reaction mixture was stirred for 10 minutes at 0 C then 30 minutes at room temperature. The solution was diluted with H20 and extracted with CHC13, washed with saturated NAHCO3 solution, dried over anhydrous NA2SO4 then concentrated in vacuo. The crude product was recrystallized from hexane and the product was obtained as white crystalline solid (8.0 g). HPLC Rt 5.66 min and MS 287.9 as M-1 peak.
With N-Bromosuccinimide; In acetonitrile; at 0 - 20℃;Large scale; Example 1 A solution of Compound 1 in acetonitrile (1238.0 kg, 264.9 kg after correction) was charged into a 5000 L glass-lined reactor at a temperature of 20-30 C. The mixture was added with stirring over about 2 h and then cooled to 0 C. NBS (221.8 kg) was charged into the mixture at intervals of 20-30 min at 0-20 C. The mixture was cooled to 0-5 C and reacted until the content of Compound 8 was < 1.0%. Purified water (2650.0 kg) was added over about 1.5 - 2.5 h at 0-20 C. The mixture was cooled to 0-5 C and then stirred for about 1 h for crystallization. The mixture was filtered and the filter cake was rinsed with water.
With bromine; at 0℃; 4-Bromopyrrole-2-carboxylic acid (3) is prepared by bromination of the commercially available 2-trichloroacetylpyrrole (6), which selectively gives the 4- bromo-2-trichloroacerylpyrroIe (7);

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[2]Patent: US2006/293320,2006,A1 .Location in patent: Page/Page column 25; 34-35.
[3]Journal of Organic Chemistry,2015,vol. 80,p. 6001 - 6011.
[4]Angewandte Chemie - International Edition,2015,vol. 54,p. 6496 - 6500.
[5]Journal of Organic Chemistry,2022.
[6]Patent: US2008/181923,2008,A1 .Location in patent: Page/Page column 35; 39.
[7]Patent: US2009/143230,2009,A1 .Location in patent: Page/Page column 46.
[8]Patent: WO2010/42682,2010,A1 .Location in patent: Page/Page column 50.
[9]Bioorganic and Medicinal Chemistry Letters,2015,vol. 25,p. 4412 - 4418.
[10]Journal of Heterocyclic Chemistry,2010,vol. 47,p. 112 - 117.
[11]Journal of the Chemical Society. Perkin transactions I,1997,p. 1443 - 1447.
[12]European Journal of Organic Chemistry,2018,vol. 2018,p. 3065 - 3074.
[13]Patent: WO2012/125887,2012,A1 .Location in patent: Page/Page column 71.
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[18]Journal of Natural Products,2006,vol. 69,p. 125 - 127.
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[22]Patent: WO2007/107319,2007,A1 .Location in patent: Page/Page column 7-8.
  • 5
  • [ 72652-32-5 ]
  • [ 124-20-9 ]
  • 4-bromo-N-(3'''-((4''-(4'-bromo-1'H-pyrrole-2'-carboxamido)butyl)amino)propyl)-1H-pyrrole-2-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
21% With triethylamine; In tetrahydrofuran; at 20℃; for 72h;Inert atmosphere; General procedure: the coupling of substituted pyrroles with amine for synthesis of di-pyrroleanalogues 12-19.To a solution of pyrrole 2 (2 equiv.) in dry THF at r.t., under an atmosphere of nitrogen, amine(1 equiv.) and triethylamine (4 equiv.) were added dropwise. The mixture was stirred for 18-72 h and the solvent was removed in vacuo to give the crude product, which was purified as stated.
  • 6
  • [ 72652-32-5 ]
  • 2-Amino-5-[3-amino-prop-(Z)-ylidene]-1,5-dihydro-imidazol-4-one; compound with methanesulfonic acid [ No CAS ]
  • Dispacamide B [ No CAS ]
  • 7
  • [ 72652-32-5 ]
  • [ 206751-15-7 ]
  • [ 206751-17-9 ]
  • 8
  • [ 72652-32-5 ]
  • [ 736126-15-1 ]
  • [ 308103-77-7 ]
  • 9
  • [ 72652-32-5 ]
  • [ 308850-43-3 ]
  • [ 308850-44-4 ]
  • 11
  • [ 72652-32-5 ]
  • [ 312330-11-3 ]
  • (4S,6S)-6-((4-bromo-1H-pyrrole-2-carbonyloxy)methyl)-6-methyl-1,4,5,6-tetrahydropyrimidine-4-carboxylic acid [ No CAS ]
  • 12
  • [ 72652-32-5 ]
  • [ 23356-96-9 ]
  • (4-bromo-1<i>H</i>-pyrrol-2-yl)-(2-hydroxymethyl-pyrrolidin-1-yl)-methanone [ No CAS ]
  • 13
  • [ 72652-32-5 ]
  • [ 308103-74-4 ]
  • [ 441045-38-1 ]
  • 14
  • [ 72652-32-5 ]
  • 5-aminomethyl-6a-hydroxy-hexahydro-furo[2,3-<i>d</i>]imidazol-2-one [ No CAS ]
  • slagenin A [ No CAS ]
  • 15
  • [ 72652-32-5 ]
  • [ 83681-28-1 ]
  • 4-bromo-1<i>H</i>-pyrrole-2-carboxylic acid [3-(2-amino-pyrimidin-5-yl)-allyl]-amide [ No CAS ]
  • 16
  • [ 72652-32-5 ]
  • [ 390816-34-9 ]
  • 4-bromo-1<i>H</i>-pyrrole-2-carboxylic acid (6a-methoxy-2-oxo-hexahydro-furo[2,3-<i>d</i>]imidazol-5-ylmethyl)-amide [ No CAS ]
  • 4-bromo-1<i>H</i>-pyrrole-2-carboxylic acid (6a-methoxy-2-oxo-hexahydro-furo[2,3-<i>d</i>]imidazol-5-ylmethyl)-amide [ No CAS ]
  • 17
  • [ 72652-32-5 ]
  • [ 475558-05-5 ]
  • slagenin A [ No CAS ]
  • 18
  • [ 72652-32-5 ]
  • [ 475558-05-5 ]
  • slagenin A [ No CAS ]
  • 4-bromo-1<i>H</i>-pyrrole-2-carboxylic acid (6a-hydroxy-2-oxo-hexahydro-furo[2,3-<i>d</i>]imidazol-5-ylmethyl)-amide [ No CAS ]
  • 19
  • [ 72652-32-5 ]
  • [ 475134-55-5 ]
  • slagenin B [ No CAS ]
  • slagenin B [ No CAS ]
  • 20
  • [ 72652-32-5 ]
  • (E)-3-Pyridin-2-yl-allylamine [ No CAS ]
  • 4-bromo-1<i>H</i>-pyrrole-2-carboxylic acid (3-pyridin-2-yl-allyl)-amide [ No CAS ]
  • 21
  • [ 72652-32-5 ]
  • 5-(3-amino-propenyl)-1,3-dimethyl-1<i>H</i>-pyrimidine-2,4-dione [ No CAS ]
  • 4-bromo-1<i>H</i>-pyrrole-2-carboxylic acid [3-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-allyl]-amide [ No CAS ]
  • 22
  • [ 72652-32-5 ]
  • [ 511272-00-7 ]
  • 4-bromo-1<i>H</i>-pyrrole-2-carboxylic acid (6a-hydroxy-2-oxo-hexahydro-furo[2,3-<i>d</i>]imidazol-5-ylmethyl)-amide [ No CAS ]
  • 23
  • [ 72652-32-5 ]
  • [6-((E)-3-Amino-propenyl)-pyridazin-3-yl]-benzyl-amine [ No CAS ]
  • 4-bromo-1<i>H</i>-pyrrole-2-carboxylic acid [3-(6-benzylamino-pyridazin-3-yl)-allyl]-amide [ No CAS ]
  • 24
  • [ 72652-32-5 ]
  • C-[(1R,2R,3S,4S)-2-Aminomethyl-3,4-bis-(1,1-dimethoxy-ethyl)-cyclobutyl]-methylamine [ No CAS ]
  • C24H34Br2N4O6 [ No CAS ]
  • 25
  • [ 72652-32-5 ]
  • 1,2-bis(2-tert-butoxycarbonylamino-1H-imidazol-4-yl)-3,4-bis(aminomethyl)cyclobutane [ No CAS ]
  • 1,2-bis(2-tert-butoxycarbonylamino-1H-imidazol-4-yl)-3,4-bis[(4-bromo-1H-pyrrole-2-carbonyl)amino]methyl}cyclobutane [ No CAS ]
  • 26
  • (6R)-6-hydroxymethyl-6-methyl-1,4,5,6-tetrahydro-pyrimidine-4-carboxylic acid [ No CAS ]
  • [ 72652-32-5 ]
  • [ 134029-41-7 ]
  • [ 880159-33-1 ]
  • 27
  • (4RS,5RS,6SR)-5,6-bis[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-1-methyl-4-(1-methyl-1H-imidazol-5-yl)-4,5,6,7-tetrahydro-1H-benzimidazole [ No CAS ]
  • [ 72652-32-5 ]
  • (4RS,5RS,6SR)-5,6-bis[(4-bromo-1H-pyrrol-2-yl)-carbonylaminomethyl]-1-methyl-4-(1-methyl-1H-imidazol-5-yl)-4,5,6,7-tetrahydro-1H-benzimidazole [ No CAS ]
  • 28
  • (4RS,5RS,6SR)-5,6-bis[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-1-methyl-4-(1-methyl-2-phenylsulfanyl-1H-imidazol-5-yl)-2-phenylsulfanyl-4,5,6,7-tetrahydro-1H-benzimidazole [ No CAS ]
  • [ 72652-32-5 ]
  • (4RS,5RS,6SR)-5,6-bis[(4-bromo-1H-pyrrol-2-yl)-carbonylaminomethyl]-1-methyl-4-(1-methyl-2-phenylsulfanyl-1H-imidazol-5-yl)-2-phenylsulfanyl-4,5,6,7-tetrahydro-1H-benzimidazole [ No CAS ]
  • 29
  • [ 72652-32-5 ]
  • (4RS,5RS,6SR)-5,6-bis(azidomethyl)-2-benzylidenamino-4-(2-benzylidenamino-1-methyl-1H-imidazol-5-yl)-1-methyl-4,5,6,7-tetrahydro-1H-benzimidazole [ No CAS ]
  • (4RS,5RS,6SR)-2-benzylidenamino-4-(2-benzylidenamino-1-methyl-1H-imidazol-5-yl)-5,6-bis[(4-bromo-1H-pyrrol-2-yl)-carbonylaminomethyl]-1-methyl-4,5,6,7-tetrahydro-1H-benzimidazole [ No CAS ]
  • 30
  • (4R,5S,6R)-1,4,5,6-tetrahydro-5-hydroxy-6-(hydroxymethyl)-6-methylpyrimidine-4-carboxylic acid [ No CAS ]
  • [ 72652-32-5 ]
  • C12H14N3O5Br [ No CAS ]
  • 31
  • (4S,5R,6R)-1,4,5,6-tetrahydro-5-hydroxy-6-(hydroxymethyl)-6-methylpyrimidine-4-carboxylic acid [ No CAS ]
  • [ 72652-32-5 ]
  • C12H14N3O5Br [ No CAS ]
  • 32
  • C7H12N2O4 [ No CAS ]
  • [ 72652-32-5 ]
  • [ 937740-17-5 ]
  • (4S,5S,6R)-manzacidin B [ No CAS ]
  • 33
  • [ 917919-55-2 ]
  • [ 72652-32-5 ]
  • [ 917919-59-6 ]
  • 34
  • (E)-2-amino-4-(3-aminopropyliden)-1H-imidazol-5(4H)-one [ No CAS ]
  • [ 72652-32-5 ]
  • (E)-2-amino-4-[3-(4-bromo-1H-pyrrol-2-carboxamido)propyliden]-1H-imidazol-5(4H)-one [ No CAS ]
  • 35
  • [ 72652-32-5 ]
  • C20H22Br2N4O4 [ No CAS ]
 

Historical Records

Technical Information

Categories

Related Functional Groups of
[ 72652-32-5 ]

Bromides

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Ketones

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Related Parent Nucleus of
[ 72652-32-5 ]

Pyrroles

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