59908-47-3

Basic information

• Product Name: 5-CHLORO-1-METHYL-1H-INDOLE-2-CARBOXYLIC ACID
• Synonyms: TIMTEC-BB SBB011233;AKOS JY2082728;5-CHLORO-1-METHYL-1H-INDOLE-2-CARBOXYLIC ACID;ASINEX-REAG BAS 10142185;1H-Indole-2-carboxylic acid, 5-chloro-1-Methyl-;5-chloro-1-methylindole-2-carboxylic acid;5-chloro-1-methyl-2-indolecarboxylic acid
• CAS NO: 59908-47-3
• Molecular Formula: C₁₀H₈ClNO₂
• Molecular Weight: 209.63
• Mol File: 59908-47-3.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 420.6±25.0 °C(Predicted)
• Appearance: /
• Density: 1.39±0.1 g/cm3(Predicted)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 3.93±0.30(Predicted)
• CAS DataBase Reference: 5-CHLORO-1-METHYL-1H-INDOLE-2-CARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 5-CHLORO-1-METHYL-1H-INDOLE-2-CARBOXYLIC ACID(59908-47-3)
• EPA Substance Registry System: 5-CHLORO-1-METHYL-1H-INDOLE-2-CARBOXYLIC ACID(59908-47-3)

Safety Data

• Hazard Codes: Xi,Xn
• Statements: 22
• HazardClass: IRRITANT
• Hazardous Substances Data: 59908-47-3(Hazardous Substances Data)

Usage

General Description

5-CHLORO-1-METHYL-1H-INDOLE-2-CARBOXYLIC ACID is a chemical compound with the molecular formula C10H8ClNO2. It is an indole derivative with a chlorine atom at the 5 position and a carboxylic acid group at the 2 position. 5-CHLORO-1-METHYL-1H-INDOLE-2-CARBOXYLIC ACID is a white to light yellow solid, and it is used as a building block in the synthesis of pharmaceuticals and agrochemicals. It is also a potential intermediate in the production of dyes and other organic compounds. Its precise characteristics, properties, and potential applications in various fields are still being explored by researchers and scientists.

Upstream product

• 87802-11-7 methyl 5-chloroindole-2-carboxylate 
• 4792-67-0 5-chloro-indole-2-carboxylic acid ethyl ester 
• 74-88-4 methyl iodide 
• 587-04-2 m-Chlorobenzaldehyde 
• 10517-21-2 5-chloro-1H-Indole-2-carboxylic acid 
• 148356-79-0 methyl 5-chloro-1-methyl-1H-indole-2-carboxylate 

Relevant articles and documents

Intracellular Trapping of the Selective Phosphoglycerate Dehydrogenase (PHGDH) Inhibitor BI-4924 Disrupts Serine Biosynthesis

Phosphoglycerate dehydrogenase (PHGDH) is known to be the rate-limiting enzyme in the serine synthesis pathway in humans. It converts glycolysis-derived 3-phosphoglycerate to 3-phosphopyruvate in a co-factor-dependent oxidation reaction. Herein, we report the discovery of BI-4916, a prodrug of the co-factor nicotinamide adenine dinucleotide (NADH/NAD+)-competitive PHGDH inhibitor BI-4924, which has shown high selectivity against the majority of other dehydrogenase targets. Starting with a fragment-based screening, a subsequent hit optimization using structure-based drug design was conducted to deliver a single-digit nanomolar lead series and to improve potency by 6 orders of magnitude. To this end, an intracellular ester cleavage mechanism of the ester prodrug was utilized to achieve intracellular enrichment of the actual carboxylic acid based drug and thus overcome high cytosolic levels of the competitive cofactors NADH/NAD+

Flexibility of small molecular CD4 mimics as HIV entry inhibitors

CD4 mimics such as YIR-821 and its derivatives are small molecules which inhibit the interaction between the Phe43 cavity of HIV-1 gp120 with host CD4, an interaction that is involved in the entry of HIV to cells. Known CD4 mimics generally possess three

N-(piperidin-4-yl)-1H-indole-2-carboxamide derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating Urotensin-Ⅱ receptor activity related diseases containing the same as an active ingredient

The present invention relates to N-(piperidin-4-yl)-1H-indole-2-carboxamide derivatives, a preparation method thereof, and a pharmaceutical composition for preventing or treating urotensin-II receptor activity-related diseases comprising the same as activ