138229-59-1

Basic information

• Product Name: 3-Formyl-2-nitrobenzoic acid methyl ester
• Synonyms: 3-Formyl-2-nitrobenzoic acid methyl ester;Methyl 3-formyl-2-nitrobenzoate;Benzoic acid, 3-forMyl-2-nitro-, Methyl ester;methyl 3-formyl-2-nitrobenzoa;methyl 2-nitro-3-aldehydebenzoate;Methyl ester 3-formyl-2-nitro-Benzoate;EOS-60871
• CAS NO: 138229-59-1
• Molecular Formula: C₉H₇NO₅
• Molecular Weight: 209
• EINECS: 1592732-453-0
• Mol File: 138229-59-1.mol
• Article Data: 15

Chemical Properties

• Boiling Point: 354℃
• Flash Point: 173℃
• Appearance: /
• Density: 1.386
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• CAS DataBase Reference: 3-Formyl-2-nitrobenzoic acid methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Formyl-2-nitrobenzoic acid methyl ester(138229-59-1)
• EPA Substance Registry System: 3-Formyl-2-nitrobenzoic acid methyl ester(138229-59-1)

Safety Data

• Hazardous Substances Data: 138229-59-1(Hazardous Substances Data)

Usage

Uses

Methyl 3-?Formyl-?2-?nitrobenzoate is a reagent used in the synthesis of PARP inhibitors. Intermediate of Niraparib (N481400), a novel oral poly(ADP-ribose)polymerase (PARP) inhibitor efficacious in BRCA-1 and -2 mutant tumors.

Upstream product

• 5437-38-7 3-methyl-2-nitrobenzoic acid 
• 68109-89-7 β-(dimethylamino)-3-carbomethoxy-2-nitrostyrene 
• 5471-82-9 methyl 3-methyl-2-nitrobenzoate 
• 68109-89-7 methyl 3-[2-(E)-(dimethylamino)ethenyl]-2-nitro-benzoate 
• 132874-06-7 methyl 3-(bromomethyl)-2-nitrobenzoate 

Downstream Products

• 1258545-33-3 methyl 3-(morpholin-4-ylmethyl)-2-nitrobenzoate 
• 1312106-32-3 18-(nitrobenzylideneamino)phenylpiperidine-1-carboxylate 
• 1038915-64-8 (3S)-3-[4-[7-(aminocarbonyl)-2H-indazol-2-yl]phenyl]piperidinium chloride 
• 1196713-67-3 2-[4-((3S)-(tertbutoxycarbonyl)piperidin-3-yl)phenyl]-2H-indazole-7-carboxylic acid methyl ester 
• 1038916-11-8 tert-butyl (3S)-3-{4-[7-(aminocarbonyl)-2H-indazol-2-yl]phenyl}piperidine-1-carboxylate 
• 1038916-08-3 2-{4-[(3S)-1-(tert-butoxycarbonyl)piperidin-3-yl]phenyl}-2H-indazole-7-carboxylic acid 
• 1038915-90-0 methyl 2-{4-[1-(tert-butoxycarbonyl)piperidin-3-yl]phenyl}-2H-indazole-7-carboxylate 
• 1038915-92-2 tert-butyl 3-{4-[7-(aminocarbonyl)-2H-indazol-2-yl]phenyl}-piperidine-1-carboxylate 
• 1038915-60-4 (3S)-3-[4-{7-(aminocarbonyl)-2H-indazol-2-yl}phenyl]piperidine 
• 952479-62-8 methyl 2-phenyl-2H-indazole-7-carboxylate 
• 755752-82-0 methyl 2H-indazole-7-carboxylate 
• 253120-49-9 methyl 2-amino-3-formylbenzoate 

Relevant articles and documents

Induction of apoptosis in MDA-MB-231 breast cancer cells by a PARP1-targeting PROTAC small molecule

Poly (ADP-ribose) polymerase-1 (PARP1) is a major member of the PARP superfamily that is involved in DNA damage signalling and other important cellular processes. Here we report the development of a small molecule targeting PARP1 based on the PROTAC strategy. In the MDA-MB-231 cell line, the representative compound 3 can induce significant PARP1 cleavage and programmed cell death.

Synthesis method of methyl 3-formyl-2-nitrobenzoate

The invention provides a synthesis method of methyl 3-formyl-2-nitrobenzoate. Firstly, methyl 3-methyl-2-nitrobenzoate is subjected to a substitution reaction with chlorine to obtain methyl 3-(dichloromethyl)-2-nitrobenzoate; the methyl 3-(dichloromethyl)

Derivative based on PARP inhibitor Niraparib and a preparation method and use thereof

The invention discloses a derivative based on a PARP inhibitor Niraparib. The derivative has a structure shown in a formula I as shown in the description, wherein R1 is selected from alkyl, alkoxy, cycloalkyl, aryl alkyl, cycloalkyl alkyl, heterocyclyl, a