436088-52-7

Basic information

• Product Name: 5-(4-AMINO-PHENYLCARBAMOYL)-3H-IMIDAZOLE-4-CARBOXYLIC ACID
• Synonyms: 5-(4-AMINO-PHENYLCARBAMOYL)-3H-IMIDAZOLE-4-CARBOXYLIC ACID;1H-Imidazole-4-carboxylicacid,5-[[(4-aminophenyl)amino]carbonyl]-(9CI)
• CAS NO: 436088-52-7
• Molecular Formula: C₁₁H₁₀N₄O₃
• Molecular Weight: 246.22
• Product Categories: AMIDE
• Mol File: 436088-52-7.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 531.3°Cat760mmHg
• Flash Point: 275.1°C
• Appearance: /
• Density: g/cm³
• Vapor Pressure: 4.04E-12mmHg at 25°C
• CAS DataBase Reference: 5-(4-AMINO-PHENYLCARBAMOYL)-3H-IMIDAZOLE-4-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(4-AMINO-PHENYLCARBAMOYL)-3H-IMIDAZOLE-4-CARBOXYLIC ACID(436088-52-7)
• EPA Substance Registry System: 5-(4-AMINO-PHENYLCARBAMOYL)-3H-IMIDAZOLE-4-CARBOXYLIC ACID(436088-52-7)

Safety Data

• Hazard Codes: Xi
• HazardClass: IRRITANT
• Hazardous Substances Data: 436088-52-7(Hazardous Substances Data)

Usage

General Description

5-(4-AMINO-PHENYLCARBAMOYL)-3H-IMIDAZOLE-4-CARBOXYLIC ACID is a chemical compound with the molecular formula C11H10N4O3. It is a derivative of imidazole-4-carboxylic acid, containing a carboxylic acid group and an amino-phenylcarbamoyl group. 5-(4-AMINO-PHENYLCARBAMOYL)-3H-IMIDAZOLE-4-CARBOXYLIC ACID has potential applications in the pharmaceutical industry due to its ability to interact with biological systems and potentially modulate their function. Its structure and properties make it a valuable building block for the synthesis of new drug candidates targeting a variety of diseases and conditions. Further research and development may reveal its full potential for medicinal purposes.

InChI:InChI=1/C11H10N4O3/c12-6-1-3-7(4-2-6)15-10(16)8-9(11(17)18)14-5-13-8/h1-5H,12H2,(H,13,14)(H,15,16)(H,17,18)/p-1

Upstream product

• 205688-13-7 (9H-fluoren-9-yl)methyl (4-aminophenyl)carbamate 
• 474013-77-9 5,10-dioxo-5H,10H-diimidazolo[1,5-a:1',5'-d]pyrazine-1,6-dicarboxylic acid diphenyl ester 

Relevant articles and documents

Discovery of a novel 5-carbonyl-1H-imidazole-4-carboxamide class of inhibitors of the HIV-1 integrase-LEDGF/p75 interaction

Though much progress has been made in the inhibition of HIV-1 integrase catalysis, clinical resistance mutations have limited the promise of long-term drug prescription. Consequently, allosteric inhibition of integrase activity has emerged as a promising approach to antiretroviral discovery and development. Specifically, inhibitors of the interaction between HIV-1 integrase and cellular cofactor LEDGF/p75 have been validated to diminish proviral integration in cells and deliver a potent reduction in viral replicative capacity. Here, we have contributed to the development of novel allosteric integrase inhibitors with a high-throughput AlphaScreen-based random screening approach, with which we have identified novel 5-carbonyl-1H-imidazole-4-carboxamides capable of inhibiting the HIV-1 integrase-LEDGF/p75 interaction in vitro. Following a structure-activity relationship analysis of the initial 1H-imidazole-4,5- dicarbonyl core, we optimized the compound's structure through an industrial database search, and we went further to synthesize a selective and non-cytotoxic panel of inhibitors with enhanced potency.