136285-69-3

Basic information

• Product Name: Ethyl-3-Amino-2-[(2'-Cyanoiphenyl-4-yl) Methyl]-Amino Benzoate
• Synonyms: Ethyl-3-amino-2-[(2-cyanobiphenyl-4-yl)methyl]-aminobenzoate;Ethyl-3-Amino-2-[(2'-Cyanoiphenyl-4-yl) Methyl]-Amino Benzoate;Ethyl-3-amino-2-[(2'-cyanobiphenyl-4-methyl)-amino]-benzoate;Ethyl3-aMino-2-[(2'-cyanobiphenyl-4-yl);Benzoic acid, 3-aMino-2-[[(2'-cyano[1,1'-biphenyl]-4-yl)Methyl]aMino]-, ethyl ester;Ethyl 3-aMino-2-(((2'-cyano-[1,1'-biphenyl]-4-yl)Methyl)aMino)benzoate;Ethyl 3-aMino-2-{[(2'-cyano-4-biphenylyl)Methyl]aMino}benzoate;Candesartan ester intermediate C5
• CAS NO: 136285-69-3
• Molecular Formula: C₂₃H₂₁N₃O₂
• Molecular Weight: 371.43174
• EINECS: 1806241-263-5
• Product Categories: Candesartan
• Mol File: 136285-69-3.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 587.819 °C at 760 mmHg
• Flash Point: 309.302 °C
• Appearance: /
• Density: 1.248 g/cm³
• Storage Temp.: Refrigerator
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• PKA: 4.58±0.11(Predicted)
• CAS DataBase Reference: Ethyl-3-Amino-2-[(2'-Cyanoiphenyl-4-yl) Methyl]-Amino Benzoate(CAS DataBase Reference)
• NIST Chemistry Reference: Ethyl-3-Amino-2-[(2'-Cyanoiphenyl-4-yl) Methyl]-Amino Benzoate(136285-69-3)
• EPA Substance Registry System: Ethyl-3-Amino-2-[(2'-Cyanoiphenyl-4-yl) Methyl]-Amino Benzoate(136285-69-3)

Safety Data

• Hazardous Substances Data: 136285-69-3(Hazardous Substances Data)

Usage

Description

Ethyl-3-amino-2-[(2'-cyanoiphenyl-4-yl) methyl]-amino benzoate, also known as 3-Amino-2-[[(2''-cyano[1,1''-biphenyl]-4-yl)methyl]amino]benzoic Acid Ethyl Ester, is a chemical compound that is identified as an impurity in Azilsartan (A926900). Azilsartan is a medication that serves as an analgesic and anti-inflammatory agent, containing angiotensin II antagonists. The presence of this compound in Azilsartan may affect the drug's efficacy and safety profile.

Uses

Used in Pharmaceutical Industry:
Ethyl-3-amino-2-[(2'-cyanoiphenyl-4-yl) methyl]-amino benzoate is used as an impurity in the production of Azilsartan (A926900), an analgesic and anti-inflammatory drug containing angiotensin II antagonists. Its presence in the drug may impact the overall effectiveness and safety of the medication, making it a compound of interest for pharmaceutical research and development.
In the pharmaceutical industry, the focus is on understanding the role of this impurity in the drug's formulation and its potential effects on the drug's performance. This knowledge can help in optimizing the manufacturing process, ensuring the quality and safety of the final product, and potentially improving the drug's therapeutic outcomes.

Upstream product

• 16533-45-2 ethyl 2-carboxy-3-nitrobenzoate 
• 136285-66-0 3-nitro-phthalic acid-1-ethyl ester-2-chloride 
• 61063-11-4 2-Amino-3-nitrobenzoic acid,ethyl ester 
• 136285-67-1 ethyl 2-[(2'-cyanobiphenyl-4-yl)methyl]amino-3-nitrobenzoate 
• 139481-38-2 methyl 2-amino>-3-nitrobenzoate 
• 139481-28-0 methyl 2-<<2'-cyanobiphenyl-4-yl)methyl>amino>-3-nitrobenzoate 
• 856414-36-3 2-Azidocarbonyl-3-nitro-benzoic acid methyl ester 
• 57113-90-3 methyl 2-(N-tert-butoxycarbonylamino)-3-nitrobenzoate 
• 603-11-2 3-nitrophthalic acid 
• 73833-13-3 acid chloride of 1-methylhydrogen-3-nitrophthalate 
• 21606-04-2 methyl 2-carboxy-3-nitrobenzoate 
• 141-52-6 sodium ethanolate 
• 136304-78-4 methyl 3-amino-2-[[(2'-cyanobiphenyl-4-yl)methyl]amino]benzoate 

Downstream Products

• 139481-41-7 ethyl 1-[(2'-cyano-[1,1']-biphenyl-4-yl)methyl]-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate 
• 136284-88-3 2-Ethylsulfanylmethyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-benzoimidazole-4-carboxylic acid ethyl ester 
• 139481-71-3 2-Propylamino-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-benzoimidazole-4-carboxylic acid ethyl ester 
• 139481-65-5 2-Propylsulfanyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-benzoimidazole-4-carboxylic acid ethyl ester 
• 139481-60-0 ethyl 2-Propoxy-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylate 
• 136285-02-4 ethyl 2-<(methylamino)methyl>-1-<<2'-(1H-tetrazol-5-yl)biphenyl-4-yl>methyl>-1H-benzimidazole-7-carboxylate 
• 136285-00-2 2-Ethoxymethyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-benzoimidazole-4-carboxylic acid methyl ester 
• 139481-64-4 2-Ethylsulfanyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-3H-benzoimidazole-4-carboxylic acid ethyl ester 
• 136284-79-2 ethyl 2-sec-butyl-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylate 
• 136285-03-5 Ethyl 2-isobutyl-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylate 
• 136284-90-7 ethyl 2-hydroxymethyl-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylate 
• 136285-01-3 ethyl 2-(chloromethyl)-1-<<2'-(1H-tetrazol-5-yl)biphenyl-4-yl>methyl>-1H-benzimidazole-7-carboxylate 
• 139481-63-3 ethyl 2-(methylthio)-1-<<2'-(1H-tetrazol-5-yl)biphenyl-4-yl>methyl>-1H-benzimidazole-7-carboxylate 
• 136284-67-8 ethyl 2-isopropyl-1-[[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl]benzimidazole-7-carboxylate 

Relevant articles and documents

Synthesis, characterization of benzimidazole carboxamide derivatives as potent anaplastic lymphoma kinase inhibitor and antioxidant activity

Novel benzimidazole carboxamide derivatives have been synthesized and characterized by FTIR, NMR, and mass spectral analysis. The synthesized compounds 7a, 7d, and 7f showed excellent scavenging capacity against DPPH radical and the results are comparable with ascorbic acid. In-silico molecular docking studies exhibited compounds 7a, 7d, and 7f had a good affinity towards the active pocket and the results indicated the ability of potent and selective inhibition of anaplastic lymphoma kinase (ALK) receptor. The theoretical investigation of MEPs, HOMO, LUMO, and the energy gap of HOMO-LUMO were calculated by B3LYP/6-31G method and reactivity descriptors were also computed.

Benzimidazole derivatives and their use

Novel imidazole derivatives of the formula (I): STR1 wherein R1 is an optionally substituted alkyl group, R2 and R3 are independently a group capable of forming an anion or a group which can be changed thereinto, ring A is a benzene ring optionally having, besides the group shown by R2, further substituents, and X shows linkage of phenylene group and phenyl group directly or through a spacer whose atomic length is not more than 2 and a salt thereof, show antagonistic actions to angiotensin II, thus being useful as therapeutics for cardiovascular diseases.