90725-68-1

Basic information

• Product Name: Methyl 2-bromomethyl-5-nitrobenzoate
• Synonyms: METHYL 2-BROMOMETHYL-5-NITRO-BENZOATE;2-Bromomethyl-5-nitro-benzoic acid methyl ester;ethyl 2-(bromomethyl)-5-nitrobenzoate;Lenalidomide Impurity 17
• CAS NO: 90725-68-1
• Molecular Formula: C₉H₈BrNO₄
• Molecular Weight: 274.07
• Mol File: 90725-68-1.mol
• Article Data: 24

Chemical Properties

• Melting Point: 76-77 °C
• Boiling Point: 397.253°C at 760 mmHg
• Flash Point: 194.052°C
• Appearance: /
• Density: 1.625g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.594
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: Methyl 2-bromomethyl-5-nitrobenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: Methyl 2-bromomethyl-5-nitrobenzoate(90725-68-1)
• EPA Substance Registry System: Methyl 2-bromomethyl-5-nitrobenzoate(90725-68-1)

Safety Data

• Hazardous Substances Data: 90725-68-1(Hazardous Substances Data)

Usage

Description

Methyl 2-bromomethyl-5-nitrobenzoate is an organic compound that serves as a key intermediate in the synthesis of various pharmaceuticals and chemical compounds. It is characterized by its bromomethyl and nitro functional groups attached to a benzene ring, which contribute to its unique chemical properties and reactivity.

Uses

Used in Pharmaceutical Industry:
Methyl 2-bromomethyl-5-nitrobenzoate is used as a synthetic intermediate for the preparation of novel and reversible inhibitors targeting the papain-like protease enzyme in severe acute respiratory syndrome-coronaviruses (SARS-CoV). These inhibitors play a crucial role in the development of potential antiviral therapies to combat SARS-CoV infections and mitigate the severity of respiratory symptoms associated with the disease.

InChI:InChI=1/C9H8BrNO4/c1-15-9(12)8-4-7(11(13)14)3-2-6(8)5-10/h2-4H,5H2,1H3

Upstream product

• 77324-87-9 methyl 2-methyl-5-nitrobenzoate 
• 1975-52-6 5-nitro-o-toluic acid 
• 128-08-5 N-Bromosuccinimide 
• 118-90-1 ortho-methylbenzoic acid 
• 89-71-4 2-Methyl-benzoic acid methyl ester 

Downstream Products

• 129229-77-2 2-phenoxymethyl-5-nitrobenzoic acid methyl ester 
• 129229-79-4 2-phenoxymethyl-5-nitrobenzoyl chloride 
• 129229-78-3 2-phenoxymethyl-5-nitrobenzoic acid 
• 129229-82-9 (2-{2-[2-(5-Amino-2-phenoxymethyl-benzoylamino)-acetylamino]-acetylamino}-acetylamino)-acetic acid ethyl ester 
• 129229-68-1 (S)-4-Benzyl-20-chloromethyl-2,5,8,11,14,17-hexaaza-bicyclo[17.3.1]tricosa-1⁽²³⁾,19,21-triene-3,6,9,12,15,18-hexaone 
• 129229-67-0 (S)-4-Benzyl-20-bromomethyl-2,5,8,11,14,17-hexaaza-bicyclo[17.3.1]tricosa-1⁽²³⁾,19,21-triene-3,6,9,12,15,18-hexaone 
• 138965-45-4 (S)-4-Benzyl-20-hydroxymethyl-2,5,8,11,14,17-hexaaza-bicyclo[17.3.1]tricosa-1⁽²³⁾,19,21-triene-3,6,9,12,15,18-hexaone 
• 129229-80-7 (2-{2-[2-(5-Nitro-2-phenoxymethyl-benzoylamino)-acetylamino]-acetylamino}-acetylamino)-acetic acid ethyl ester 
• 129229-76-1 Acetic acid (S)-4-benzyl-3,6,9,12,15,18-hexaoxo-2,5,8,11,14,17-hexaaza-bicyclo[17.3.1]tricosa-1⁽²³⁾,19,21-trien-20-ylmethyl ester 
• 131918-93-9 (S)-4-Benzyl-20-phenoxymethyl-2,5,8,11,14,17-hexaaza-bicyclo[17.3.1]tricosa-1⁽²³⁾,19,21-triene-3,6,9,12,15,18-hexaone 
• 138965-42-1 Boc-Phe-m-aB<Φ>-Gly4-OEt 
• 138965-43-2 {(S)-1-[3-({[({[(Hydrazinocarbonylmethyl-carbamoyl)-methyl]-carbamoyl}-methyl)-carbamoyl]-methyl}-carbamoyl)-4-phenoxymethyl-phenylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester 
• 138965-44-3 5-((S)-2-Amino-3-phenyl-propionylamino)-N-{[({[(hydrazinocarbonylmethyl-carbamoyl)-methyl]-carbamoyl}-methyl)-carbamoyl]-methyl}-2-phenoxymethyl-benzamide; hydrochloride 
• 668262-51-9 methyl 2-{[bromo(triphenyl)phosphoranyl]methyl}-5-nitrobenzoate 

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The present disclosure relates to te rt-butyl (S)-2-(4-(phenyl)-6H-thieno[3,2-f][l,2,4]triazolo[4,3-a] [l,4]diazepin-6-yl) acetate derivatives and related compounds as bromodomain BRD4 inhibitors for treating cancer. Exemplary compounds are e.g. tert-butyl (S)-2-(4-(4-(3-aminoprop-l-yn-l-yl)phenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][l,2,4]triazolo[4,3-a][l,4]diazepin-6-yl)acetate (example 1, compound la), tert-butyl(S,E)-2-(4-(4-(3-aminoprop-l-en-l-yl)phenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][l,2,4]triazolo[4,3-a][l,4]diazepin-6-yl)acetate (example 6, compound 6a) or tert-butyl(S)-2-(4-(4-(3-(hydroxyamino)prop-l-yn-l-yl)phenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][l,2,4]triazolo[4,3-a] [l,4]diazepin-6-yl)acetate (example 8, compound 8a).Results of biological assays, such as e.g. BRD4 BD1 and BD2 binding (table 2), cell proliferation assays (table 6) and inhibition of MYC expression in MV-4-11 cells (table 7) are disclosed.