35290-97-2

Basic information

• Product Name: 4-AMINO-5-BROMO-2-METHOXYBENZENECARBOXYLIC ACID
• Synonyms: 4-Amino-5-bromo-2-methoxybenzoicacid;4-AMINO-5-BROMO-2-METHOXYBENZENECARBOXYLIC ACID;2-Methoxy-4-amino-5-bromobenzoic acid
• CAS NO: 35290-97-2
• Molecular Formula: C₈H₈BrNO₃
• Molecular Weight: 246.06
• EINECS: 252-491-8
• Mol File: 35290-97-2.mol
• Article Data: 4

Chemical Properties

• Melting Point: 186-188°C
• Boiling Point: 395.5 °C at 760 mmHg
• Flash Point: 193 °C
• Appearance: /
• Density: 1.703 g/cm³
• Vapor Pressure: 5.77E-07mmHg at 25°C
• Refractive Index: 1.636
• PKA: 4.36±0.10(Predicted)
• CAS DataBase Reference: 4-AMINO-5-BROMO-2-METHOXYBENZENECARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-AMINO-5-BROMO-2-METHOXYBENZENECARBOXYLIC ACID(35290-97-2)
• EPA Substance Registry System: 4-AMINO-5-BROMO-2-METHOXYBENZENECARBOXYLIC ACID(35290-97-2)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 35290-97-2(Hazardous Substances Data)

Usage

Description

4-AMINO-5-BROMO-2-METHOXYBENZENECARBOXYLIC ACID is an organic compound with the molecular formula C7H7BrNO3. It is characterized by the presence of an amino group, a bromine atom, a methoxy group, and a carboxylic acid group attached to a benzene ring. 4-AMINO-5-BROMO-2-METHOXYBENZENECARBOXYLIC ACID is known for its structural diversity and potential applications in various fields.

Uses

Used in Pharmaceutical Industry:
4-AMINO-5-BROMO-2-METHOXYBENZENECARBOXYLIC ACID is used as an impurity in the synthesis of bromopride (B686645), which is an antiemetic agent. It plays a crucial role in the development and production of medications aimed at treating nausea and vomiting associated with various conditions, such as motion sickness, pregnancy, and chemotherapy.
In addition to its use in the pharmaceutical industry, 4-AMINO-5-BROMO-2-METHOXYBENZENECARBOXYLIC ACID may also have potential applications in other industries, such as chemical synthesis, material science, and research, due to its unique structural properties.

InChI:InChI=1/C8H8BrNO3/c1-13-7-3-6(10)5(9)2-4(7)8(11)12/h2-3H,10H2,1H3,(H,11,12)

Upstream product

• 4093-34-9 2-Methoxy-4-cetamino-5-brom-benzoesaeuremethylester 
• 111049-68-4 methyl 4-amino-5-bromo-2-methoxybenzenecarboxylate 
• 4093-29-2 methyl 4-(acetylamino)-o-anisate 
• 4093-28-1 methyl 4-acetamido-2-hydroxybenzoate 
• 65-49-6 4-Aminosalicylic acid 
• 4136-97-4 methyl 4-aminosalicylate 
• 27492-84-8 Methyl 4-amino-2-methoxybenzoate 

Downstream Products

• 112885-57-1 4-Amino-N-(4-benzyl-morpholin-2-ylmethyl)-5-bromo-2-methoxy-benzamide 
• 84410-02-6 4-Amino-5-bromo-2-methoxy-N-((1R,2S,3S,6S,7R)-4-methyl-4-aza-tricyclo[4.2.1.0^3,7]non-2-yl)-benzamide 
• 286377-18-2 5-Bromo-2-methoxy-4-nitrobenzoic acid 
• 286377-19-3 5-Bromo-2-hydroxy-4-nitrobenzoic acid 
• 1027055-80-6 5-Bromo-2-hydroxy-4-nitrobenzoic acid methyl ester 
• 286377-35-3 3-methoxy-6-nitro-5-phenylsulfanyl-benzofuran 
• 286377-60-4 6-amino-5-phenylsulfanyl-benzofuran-3-one 
• 286377-39-7 5-(3-chloro-phenylsulfanyl)-3-methoxy-6-nitro-benzofuran 
• 286377-40-0 5-(4-chloro-phenylsulfanyl)-3-methoxy-6-nitro-benzofuran 
• 286377-22-8 4-Bromo-2-carboxy-5-nitrophenoxyacetic acid 
• 286377-61-5 6-amino-5-(3-fluoro-phenylsulfanyl)-benzofuran-3-one 
• 286377-64-8 6-amino-5-(3-chloro-phenylsulfanyl)-benzofuran-3-one 
• 286377-74-0 6-amino-5-(2-ethyl-phenylsulfanyl)-benzofuran-3-one 
• 286377-65-9 6-amino-5-(4-chloro-phenylsulfanyl)-benzofuran-3-one 

Relevant articles and documents

ANTIVIRAL COMPOUNDS

Disclosed herein are new antiviral compounds, together with pharmaceutical compositions that include one or more antiviral compounds, and methods of synthesizing the same. Also disclosed herein are methods of ameliorating and/or treating a paramyxovirus viral infection with one or more small molecule compounds. Examples of paramyxovirus infection include an infection caused by human respiratory syncytial virus (RSV).

Discovery of (2,4-Dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1- ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design

Inhibitors of the molecular chaperone heat shock protein 90 (Hsp90) are currently generating significant interest in clinical development as potential treatments for cancer. In a preceding publication (DOI: 10.1021/jm100059d) we describe Astex's approach to screening fragments against Hsp90 and the subsequent optimization of two hits into leads with inhibitory activities in the low nanomolar range. This paper describes the structure guided optimization of the 2,4-dihydroxybenzamide lead molecule 1 and details some of the drug discovery strategies employed in the identification of AT13387 (35), which has progressed through preclinical development and is currently being tested in man.