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3-Formyl-2-nitrobenzoic acid methyl ester is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

138229-59-1

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138229-59-1 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.

Check Digit Verification of cas no

The CAS Registry Mumber 138229-59-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,8,2,2 and 9 respectively; the second part has 2 digits, 5 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 138229-59:
(8*1)+(7*3)+(6*8)+(5*2)+(4*2)+(3*9)+(2*5)+(1*9)=141
141 % 10 = 1
So 138229-59-1 is a valid CAS Registry Number.

138229-59-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl 3-formyl-2-nitrobenzoate

1.2 Other means of identification

Product number -
Other names QC-1911

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:138229-59-1 SDS

138229-59-1Relevant academic research and scientific papers

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

Zhao, Qiuye,Lan, Tianlong,Su, Shang,Rao, Yu

, p. 369 - 372 (2019)

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.

Indazole formamide compound as well as preparation method and application thereof

-

, (2021/02/16)

The invention belongs to the field of chemical medicines, and particularly relates to an indazole formamide compound as well as a preparation method and application thereof. The invention provides anindazole carboxamide compound or a pharmaceutically acce

Synthesis method of methyl 3-formyl-2-nitrobenzoate

-

Paragraph 0024; 0026; 0027; 0029, (2019/11/20)

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)

PROCESSES FOR THE PREPARATION OF NIRAPARIB AND INTERMEDIATES THEREOF

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Paragraph 00181; 00182, (2019/03/05)

The present invention relates to novel procedures and novel intermediates useful in the synthesis of Niraparib or any salt thereof.

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

-

, (2019/10/29)

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

SINGLE MOLECULE COMPOUNDS PROVIDING MULTI-TARGET INHIBITION OF PARP AND OTHER PROTEINS AND METHODS OF USE THEREOF

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, (2019/01/10)

The invention relates to compounds useful for inhibiting PARP and at least one other protein and to methods of treating diseases including cancer by administration of a compound(s) of Formula I-V (or pharmaceutically acceptable salts thereof) as defined herein.

Niraparib synthesis method

-

, (2017/04/28)

The invention discloses a Niraparib synthesis method. The method comprises that through esterification, 3-methyl hydroformylation, 3-schiff base reaction, cyclization, amidation, BOC removal and chiral resolution, optically pure Niraparib with purity of 91% or more is prepared from 3-methyl-2-nitrobenzoic acid. The method has the advantages of simple process, high efficiency, easy operation and less equipment requirement, and is a method suitable for industrial production.

A prepares Nepal to pull handkerchief Nepal method (by machine translation)

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Paragraph 0055; 0056, (2017/07/23)

The invention discloses a compound 2 - [4 - ((3S) - 3 - piperidinyl) phenyl] - 2H - indazole - 7 - carboxamide preparation method, through the 4 - nitro phenylpyridyl with reaction produced animal pen halogenphenmethyl season ammonium salt, by sodium borohydride reduction of the pyridine quaternary ammonium salt, in the palladium reagent obtained under the action of the 3 - (4 - aminophenyl) piperidine, in the chiral reagent obtained under the action of the (S)- 3 - (4 - halophenyl) piperidine, with 3 - formyl - 2 - nitro-benzoic acid methyl ester condensation and in sodium azide formed under the action of powder medicine, after preparing the amine Niraparib (molecular entity is: 2 - [4 - ((3S) - 3 - piperidinyl) phenyl] - 2H - indazole - 7 - carboxamide). (by machine translation)

Method for preparing Niraparib of PARP (poly-ADP-ribose polymerase) inhibitor

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Paragraph 0052; 0053, (2017/07/19)

The invention discloses a method for preparing 2-(4-((3S)-3-piperidyl) phenyl)-2H-indazole-7-formamide of a compound. Benzyl protected-piperidone is generated into piperidone of 3-triflic anhydride under the action of triflic anhydride, the piperidone and nitrobenzoic acid are subjected to Suzuki reaction to obtain a coupled product, 3-(4-aminophenyl) piperidine is obtained under the action of a palladium reagent, (S)-3-(4-halogenated phenyl) piperidine is prepared with a chirality resolution reagent, the (S)-3-(4-halogenated phenyl) piperidine is condensed with 3-formyl-2-methyl nitrobenzoate to form pyrazolone ring under the action of sodium azide, and the Niraparid (with the molecular entity of 2-(4-((3S)-3-piperidyl) phenyl)-2H-indazole-7-formamide) is prepared via aminolysis.

Development of a fit-for-purpose large-scale synthesis of an oral PARP inhibitor

Wallace, Debra J.,Baxter, Carl A.,Brands, Karel J. M.,Bremeyer, Nadine,Brewer, Sarah E.,Desmond, Richard,Emerson, Khateeta M.,Foley, Jennifer,Fernandez, Paul,Hu, Weifeng,Keen, Stephen P.,Mullens, Peter,Muzzio, Daniel,Sajonz, Peter,Tan, Lushi,Wilson, Robert D.,Zhou, George,Zhou, Guoyue

experimental part, p. 831 - 840 (2012/07/03)

Compound (1) a poly(ADP-ribose)polymerase (PARP) inhibitor has been made by a fit-for-purpose large-scale synthesis using either a classical resolution or chiral chromatographic separation. The development and relative merits of each route are discussed,

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