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59382-59-1

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59382-59-1 Usage

Chemical Properties

White crystalline powder

Uses

Different sources of media describe the Uses of 59382-59-1 differently. You can refer to the following data:
1. Methyl 2-methyl-3-nitrobenzoate may be used in the synthesis of methyl indole-4-carboxylate, 5-aminoisoquinolin-1(2H)-one, 5-nitroisocoumarin and [2-(4-fluorophenyl)-1H-indol-4-yl]-1-pyrrolidinylmethanone. It may also be used in the preparation of substituted nitrostyrene benzoic acids, via reaction with aromatic aldehydes in the presence of DBU in DMSO; and 4-(hydroxymethyl)-1-tosylindole, via Batcho-Leimgruber modification of the Reissert indole synthesis.
2. Methyl 2-methyl-3-nitrobenzoate may be used in the synthesis of:methyl indole-4-carboxylate5-aminoisoquinolin-1(2H)-one 5-nitroisocoumarinsubstituted nitrostyrene benzoic acids, via reaction with aromatic aldehydes in the presence of DBU in DMSO4-(hydroxymethyl)-1-tosylindole, via Batcho-Leimgruber modification of the Reissert indole synthesis[2-(4-fluorophenyl)-1H-indol-4-yl]-1-pyrrolidinylmethanone

Check Digit Verification of cas no

The CAS Registry Mumber 59382-59-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,9,3,8 and 2 respectively; the second part has 2 digits, 5 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 59382-59:
(7*5)+(6*9)+(5*3)+(4*8)+(3*2)+(2*5)+(1*9)=161
161 % 10 = 1
So 59382-59-1 is a valid CAS Registry Number.
InChI:InChI=1/C9H9NO4/c1-6-7(9(11)14-2)4-3-5-8(6)10(12)13/h3-5H,1-2H3

59382-59-1 Well-known Company Product Price

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  • Alfa Aesar

  • (H60242)  Methyl 2-methyl-3-nitrobenzoate, 97%   

  • 59382-59-1

  • 5g

  • 154.0CNY

  • Detail
  • Alfa Aesar

  • (H60242)  Methyl 2-methyl-3-nitrobenzoate, 97%   

  • 59382-59-1

  • 25g

  • 620.0CNY

  • Detail

59382-59-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl 2-methyl-3-nitrobenzoate

1.2 Other means of identification

Product number -
Other names Methyl 3-nitro-o-toluate

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:59382-59-1 SDS

59382-59-1Relevant articles and documents

From off-to on-target: New BRAF-inhibitor-template-derived compounds selectively targeting mitogen activated protein kinase kinase 4 (MKK4)

Kl?vekorn, Philip,Pfaffenrot, Bent,Juchum, Michael,Selig, Roland,Albrecht, Wolfgang,Zender, Lars,Laufer, Stefan A.

supporting information, (2020/11/20)

The mitogen-activated protein kinase (MAP) kinase 4 (MKK4) was found to be a major regulator of liver regeneration and could be a valuable drug target addressing liver related diseases by restoring its intrinsic regenerative capacity. We report on the synthesis and optimization of novel MKK4 inhibitors following a target-hopping strategy from the FDA-approved BRAFV600E inhibitor PLX4032 (8). Applying an iterative multi-parameter optimization process we carved out essential structural features yielding in compounds with a low nanomolar affinity for MKK4 and excellent selectivity profiles against the main off-targets MKK7 and JNK1, which, upon relevant inhibition, would totally abrogate the pro-regenerative effect of MKK4 inhibition, as well as against the off-targets MAP4K5, ZAK and BRAF with selectivity factors ranging from 40 to 430 for our best-balanced compounds 70 and 73.

X-ray Structure-Guided Discovery of a Potent, Orally Bioavailable, Dual Human Indoleamine/Tryptophan 2,3-Dioxygenase (hIDO/hTDO) Inhibitor That Shows Activity in a Mouse Model of Parkinson’s Disease

Ning, Xiang-Li,Li, Yu-Zhi,Huo, Cui,Deng, Ji,Gao, Cheng,Zhu, Kai-Rong,Wang, Miao,Wu, Yu-Xiang,Yu, Jun-Lin,Ren, Ya-Li,Luo, Zong-Yuan,Li, Gen,Chen, Yang,Wang, Si-Yao,Peng, Cheng,Yang, Ling-Ling,Wang, Zhou-Yu,Wu, Yong,Qian, Shan,Li, Guo-Bo

supporting information, p. 8303 - 8332 (2021/06/30)

Human indoleamine 2,3-dioxygenase 1 (hIDO1) and tryptophan 2,3-dioxygenase (hTDO) have been closely linked to the pathogenesis of Parkinson’s disease (PD); nevertheless, development of dual hIDO1 and hTDO inhibitors to evaluate their potential efficacy against PD is still lacking. Here, we report biochemical, biophysical, and computational analyses revealing that 1H-indazole-4-amines inhibit both hIDO1 and hTDO by a mechanism involving direct coordination with the heme ferrous and ferric states. Crystal structure-guided optimization led to23, which manifested IC50values of 0.64 and 0.04 μM to hIDO1 and hTDO, respectively, and had good pharmacokinetic properties and brain penetration in mice.23showed efficacy against the 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine-induced mouse motor coordination deficits, comparable to Madopar, an anti-PD medicine. Further studies revealed that different from Madopar,23likely has specific anti-PD mechanisms involving lowering IDO1 expression, alleviating dopaminergic neurodegeneration, reducing inflammatory cytokines and quinolinic acid in mouse brain, and increasing kynurenic acid in mouse blood.

Efficient synthesis of dibenzazepine lactams via a sequential Pd-catalyzed amination and aldol condensation reaction

Song, Ha-Jeong,Yoon, Eunyoung,Heo, Jung-Nyoung

supporting information, (2019/12/27)

A simple and efficient reaction was developed for the synthesis of dibenzazepine lactam derivatives. The core 7-membered azepine ring was formed by a stepwise sequence involving a palladium-catalyzed amination and an aldol condensation.

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