15029-53-5

Basic information

• Product Name: 4-(2-CYANO-ACETYLAMINO)-BENZOIC ACID ETHYL ESTER
• Synonyms: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid ethyl ester;ethyl 4-(2-cyanoethanoylamino)benzoate;ethyl 4-[(2-cyanoacetyl)amino]benzoate;ethyl 4-[(cyanoacetyl)amino]benzoate
• CAS NO: 15029-53-5
• Molecular Formula: C₁₂H₁₂N₂O₃
• Molecular Weight: 232.24
• Mol File: 15029-53-5.mol

Chemical Properties

• Boiling Point: 470.6°Cat760mmHg
• Flash Point: 238.4°C
• Appearance: /
• Density: 1.243g/cm³
• Vapor Pressure: 4.98E-09mmHg at 25°C
• Refractive Index: 1.572
• PKA: 4.70±0.10(Predicted)
• CAS DataBase Reference: 4-(2-CYANO-ACETYLAMINO)-BENZOIC ACID ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(2-CYANO-ACETYLAMINO)-BENZOIC ACID ETHYL ESTER(15029-53-5)
• EPA Substance Registry System: 4-(2-CYANO-ACETYLAMINO)-BENZOIC ACID ETHYL ESTER(15029-53-5)

Safety Data

• Hazardous Substances Data: 15029-53-5(Hazardous Substances Data)

Usage

InChI:InChI=1/C12H12N2O3/c1-2-17-12(16)9-3-5-10(6-4-9)14-11(15)7-8-13/h3-6H,2,7H2,1H3,(H,14,15)

Upstream product

• 105-56-6 ethyl 2-cyanoacetate 
• 94-09-7 p-aminoethylbenzoate 
• 105-34-0 methyl 2-cyanoacetate 
• 36140-83-7 1-cyanoacetyl-3,5-dimethylpyrazole 

Downstream Products

• 287474-37-7 4-{2-Cyano-2-[(Z)-hydroxyimino]-acetylamino}-benzoic acid ethyl ester 
• 69438-17-1 4-[(2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carbonyl)-amino]-benzoic acid ethyl ester 
• 83836-32-2 4-(4-Oxo-5,6,7,8-tetrahydro-4H-benzo[4,5]thieno[2,3-d]pyrimidin-3-yl)-benzoic acid ethyl ester 
• 89733-21-1 4-(2-Cyano-2-cyclohexylidene-acetylamino)-benzoic acid ethyl ester 
• 111947-24-1 4-(2-oxo-2H-chromene-3-carbonylamino)-benzoic acid ethyl ester 
• 287474-45-7 4-(2-cyano-2-diazo-acetylamino)-benzoic acid ethyl ester 
• 287474-41-3 4-(2-amino-2-cyano-acetylamino)-benzoic acid ethyl ester 

Relevant articles and documents

Synthesis, cytotoxic characterization, and SAR study of imidazo[1,2-b]pyrazole-7-carboxamides

The synthesis and in vitro cytotoxic characteristics of new imidazo[1,2-b]pyrazole-7-carboxamides were investigated. Following a hit-to-lead optimization exploiting 2D and 3D cultures of MCF-7 human breast, 4T1 mammary gland, and HL-60 human promyelocytic leukemia cancer cell lines, a 67-membered library was constructed and the structure–activity relationship (SAR) was determined. Seven synthesized analogues exhibited sub-micromolar activities, from which compound 63 exerted the most significant potency with a remarkable HL-60 sensitivity (IC50 = 0.183 μM).

α-Cyanocinnamide derivatives: A new family of non-peptide, non-sulfhydryl inhibitors of ras farnesylation

Farnesylation of Ras and other proteins is required for their membrane attachment and normal function. Here we report on the synthesis of α-cyanocinnamide derivatives, a new family of farnesyltransferase inhibitors. These compounds are nonpeptidic and do not contain sulfhydryl groups. The most potent compound is a pure competitive inhibitor with respect to the Ras protein and mixed competitive with respect to farnesyl diphosphate. Selectivity studies against geranylgeranyltransferase and biological activities of selected compounds are described. Copyright (C) 1999.