99206-51-6

Basic information

• Product Name: 4-(1 H-BENZOIMIDAZOL-2-YLMETHYL)-PHENYLAMINE
• Synonyms: 4-(1 H-BENZOIMIDAZOL-2-YLMETHYL)-PHENYLAMINE;4-(1H-Benzimidazol-2-ylmethyl)aniline
• CAS NO: 99206-51-6
• Molecular Formula: C₁₄H₁₃N₃
• Molecular Weight: 223.27
• Mol File: 99206-51-6.mol
• Article Data: 3

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 4-(1 H-BENZOIMIDAZOL-2-YLMETHYL)-PHENYLAMINE(CAS DataBase Reference)
• NIST Chemistry Reference: 4-(1 H-BENZOIMIDAZOL-2-YLMETHYL)-PHENYLAMINE(99206-51-6)
• EPA Substance Registry System: 4-(1 H-BENZOIMIDAZOL-2-YLMETHYL)-PHENYLAMINE(99206-51-6)

Safety Data

• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26
• HazardClass: IRRITANT
• Hazardous Substances Data: 99206-51-6(Hazardous Substances Data)

Usage

Description

4-(1 H-Benzimidazol-2-ylmethyl)-phenylamine is a chemical compound that belongs to the class of organic compounds known as phenylamines. It is a derivative of benzimidazole and contains a benzene ring with an attached phenylamine group and a benzimidazole moiety. 4-(1 H-BENZOIMIDAZOL-2-YLMETHYL)-PHENYLAMINE may have potential applications in the pharmaceutical industry, particularly in the development of drugs targeting certain biological pathways and receptors. Further research and studies may be needed to fully understand the properties and potential uses of 4-(1 H-Benzimidazol-2-ylmethyl)-phenylamine.

Uses

Used in Pharmaceutical Industry:
4-(1 H-Benzimidazol-2-ylmethyl)-phenylamine is used as a chemical intermediate for the development of drugs targeting specific biological pathways and receptors. Its unique structure, which includes a benzene ring, phenylamine group, and benzimidazole moiety, may contribute to its potential as a pharmaceutical candidate.
Used in Drug Development:
4-(1 H-Benzimidazol-2-ylmethyl)-phenylamine is used as a building block in the synthesis of new drug molecules. Its chemical properties and structure may allow for the creation of innovative compounds with therapeutic potential.
Used in Research and Studies:
4-(1 H-Benzimidazol-2-ylmethyl)-phenylamine is used as a research compound to investigate its properties and potential applications. Further studies may help to uncover its full potential and establish its role in the pharmaceutical industry.

Upstream product

• 1197-55-3 4-aminophenylacetic acid 
• 95-54-5 1,2-diamino-benzene 

Relevant articles and documents

Computational design, synthesis and evaluation of new sulphonamide derivatives targeting HIV-1 gp120

Attachment of envelope glycoprotein gp120 to the host cell receptor CD4 is the first step during the human immunodeficiency virus-1 (HIV-1) entry into the host cells that makes it a promising target for drug design. To elucidate the crucial three dimensional (3D) structural features of reported HIV-1 gp120 CD4 binding inhibitors, 3D pharmacophores were generated and receptor based approach was employed to quantify these structural features. A four-partial least square factor model with good statistics and predictive ability was generated for the dataset of 100 molecules. To further ascertain the structural requirement for gp120-CD4 binding inhibition, molecular interaction studies of inhibitors with gp120 was carried out by performing molecular docking using Glide 5.6. Based on these studies, structural requirements were drawn and new molecules were designed accordingly to yield new sulphonamides derivatives. A water based green synthetic approach was adopted to obtain these compounds which were evaluated for their HIV-1 gp120 CD4 binding inhibition. The newly synthesized compounds exhibited remarkable activity (10-fold increase) when compared with the standard BMS 806. Further the stability of newly synthesized derivatives with HIV-1 gp120 was also investigated through molecular dynamics simulation studies. This provides a proof of concept for molecular modeling based design of new inhibitors for inhibition of HIV-1 gp120 CD4 interaction.

ARYL-1,3-AZOLE DERIVATIVES AND METHODS FOR INHIBITING HEPARNASE ACTIVITY

The present invention encompasses heparanase inhibitors, particularly to certain 2-substituted heteroaryl-fused and aryl-fused carbazole derivatives that inhibit heparanase, pharmaceutical compositions that contain the compounds, methods for making the co