1017414-83-3

Basic information

• Product Name: 5-(4-Chlorophenyl)-1-methyl-1H-pyrrole-2-carboxylic acid
• Synonyms: 5-(4-Chlorophenyl)-1-methyl-1H-pyrrole-2-carboxylic acid;5-(4-chlorophenyl)-1-methylpyrrole-2-carboxylic acid;1H-Pyrrole-2-carboxylic acid, 5-(4-chlorophenyl)-1-mehtyl-
• CAS NO: 1017414-83-3
• Molecular Formula: C12H10ClNO2
• Molecular Weight: 235.6663
• Mol File: 1017414-83-3.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 419.4±35.0 °C(Predicted)
• Appearance: /
• Density: 1.29±0.1 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: 4.36±0.41(Predicted)
• CAS DataBase Reference: 5-(4-Chlorophenyl)-1-methyl-1H-pyrrole-2-carboxylic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(4-Chlorophenyl)-1-methyl-1H-pyrrole-2-carboxylic acid(1017414-83-3)
• EPA Substance Registry System: 5-(4-Chlorophenyl)-1-methyl-1H-pyrrole-2-carboxylic acid(1017414-83-3)

Safety Data

• Hazardous Substances Data: 1017414-83-3(Hazardous Substances Data)

Usage

General Description

5-(4-chlorophenyl)-1-methyl-1H-pyrrole-2-carboxylic acid is a chemical compound with the molecular formula C12H10ClNO2. It is a derivative of pyrrole and contains a carboxylic acid group, as well as a chlorophenyl and a methyl group. 5-(4-chlorophenyl)-1-methyl-1H-pyrrole-2-carboxylic acid is used in the synthesis of pharmaceutical drugs and has potential medicinal properties, including anti-inflammatory and analgesic effects. It may also have applications in the development of new therapeutic agents and drug discovery. Additionally, it may be used as a research tool in the study of pyrrole derivatives and their biological activities.

Upstream product

• 131172-61-7 5-(4-chlorophenyl)-1H-pyrrole-2-carboxylic acid 

Relevant articles and documents

Synthesis, Antiviral Potency, in Vitro ADMET, and X-ray Structure of Potent CD4 Mimics as Entry Inhibitors That Target the Phe43 Cavity of HIV-1 gp120

In our attempt to optimize the lead HIV-1 entry antagonist, NBD-11021, we present in this study the rational design and synthesis of 60 new analogues and determination of their antiviral activity in a single-cycle and a multicycle infection assay to derive a comprehensive structure-activity relationship (SAR). Two of these compounds, NBD-14088 and NBD-14107, showed significant improvement in antiviral activity compared to the lead entry antagonist in a single-cycle assay against a large panel of Env-pseudotyped viruses. The X-ray structure of a similar compound, NBD-14010, confirmed the binding mode of the newly designed compounds. The in vitro ADMET profiles of these compounds are comparable to that of the most potent attachment inhibitor BMS-626529, a prodrug of which is currently undergoing phase III clinical trials. The systematic study presented here is expected to pave the way for improving the potency, toxicity, and ADMET profile of this series of compounds with the potential to be moved to the early preclinical development.