211915-00-3

Basic information

• Product Name: Dabigatran iMpurity J
• Synonyms: Dabigatran iMpurity J;methyl (E)-3-(2-(((4-(N'-((hexyloxy)carbonyl)carbamimidoyl)phenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate;β-Alanine, N-[[2-[[[4-[[[(hexyloxy)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, methyl ester;Dabigatran Etexilate Mesylate impurity K;1-Methyl-2-[N-[4-(N-n-hexyloxycarbonylamidino)phenyl]-aminomethyl]-benzimidazol-5-yl-carboxylic acid-N-(2-pyridyl)-N-(2-methoxycarbonylethyl)-amide;methyl (Z)-3-(2-(((4-(N'-((hexyloxy)carbonyl)carbamimidoyl)phenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate
• CAS NO: 211915-00-3
• Molecular Formula: C₃₃H₃₉N₇O₅
• Molecular Weight: 613.70666
• Product Categories: benzimidazol;Dabigatran impurity
• Mol File: 211915-00-3.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• Density: 1.25±0.1 g/cm3(Predicted)
• Storage Temp.: -20°C Freezer, Under inert atmosphere
• Solubility: Acetonitrile (Slightly), DMSO (Slightly)
• PKA: 9.88±0.46(Predicted)
• CAS DataBase Reference: Dabigatran iMpurity J(CAS DataBase Reference)
• NIST Chemistry Reference: Dabigatran iMpurity J(211915-00-3)
• EPA Substance Registry System: Dabigatran iMpurity J(211915-00-3)

Safety Data

• Hazardous Substances Data: 211915-00-3(Hazardous Substances Data)

Usage

Uses

N-[[2-[[[4-[[[(Hexyloxy)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-β-Alanine Methyl Ester was used in preparation of thrombin inhibitors. It was also used to analyze and reduce potential impurities in dabigatra etexilate mesylate processes.

Upstream product

• 67-56-1 methanol 
• 1415506-19-2 3-[[[2-[[[4-[amino[[[(hexyloxy)carbonyl]amino]methyl]]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl](pyridin-2-yl)amino]propionic acid 
• 212322-77-5 3-(2-(((4-cyanophenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propionic acid 
• 211915-84-3 3-[[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl](pyridin-2-yl)amino]propionic acid ethyl ester 
• 6092-54-2 n-hexyl chloroformate 
• 1610758-16-1 C₂₆H₂₇N₇O₃*C₇H₈O₃S 
• 211914-58-8 1-methyl-2-[N-(4-amidinophenyl)-aminomethyl]-benzimidazol-5-yl-carboxylic acid-N-(2-pyridyl)-N-(2-methoxycarbonylethyl)-amide-hydrochloride 

Relevant articles and documents

Preparation of benzimidazole methyl ester related substance

Preparation of a benzimidazole methyl ester related substance is provided. The invention discloses a preparation method and application of the dabigatran etexilate related substance. The related substance is a compound having the structure represented by

Disubstituted bicyclic heterocycles, the preparations and the use thereof as pharmaceutical compositions

New disubstituted bicyclic heterocycles of general formula Ra-A-Het-B-Ar-E (I)Compounds of the above general formula I, wherein E denotes an RbNH-C(=NH)- group, have valuable pharmacological properties, particularly a thrombin-inhibiting effect and the effect of prolonging thrombin time, and those wherein E denotes a cyano group, are valuable intermediates for preparing the other compounds of general formula I. Exemplary compounds of formula I are: (a) 1-Methyl-2-[N-(4-amidinophenyl)-aminomethyl]-benzimidazol-5-yl-carboxylic acid-N-phenyl-N-(2-hydroxycarbonylethyl)-amide, (b) 1-Methyl-2-[N-(4-amidinophenyl)-aminomethyl]-benzimidazol-5-yl-carboxylic acid-N-(2-pyridyl)-N-(hydroxycarbonylmethyl)-amide, (c) 1-Methyl-2-[N-(4-amidino-2-methoxy-phenyl)-aminomethyl]-benzimidazol-5-yl-carboxylic acid-N-(2-pyridyl)-N-(hydroxycarbonylmethyl)-amide, and (d) 1-Methyl-2-[N-[4-(N-n-hexyloxycarbonylamidino)phenyl]aminomethyl]-benzimidazol-5-yl-carboxylic acid-N-(2-pyridyl)-N-(2-ethoxycarbonylethyl) amide.