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Methyl 3-amino-4-chlorobenzoate, also known as 3-amino-4-chlorobenzoic acid methyl ester, is an organic compound characterized by the molecular formula C8H8ClNO2. It is a chlorinated derivative of benzoic acid, typically appearing as a white crystalline solid with a chlorobenzene-like odor. This chemical is soluble in organic solvents and is widely recognized for its applications in the synthesis of pharmaceuticals and agrochemicals. Moreover, it serves as a potential precursor in the production of other significant chemicals, highlighting its diverse industrial applications. Methyl 3-amino-4-chlorobenzoate's potential biological activities and pharmacological properties are currently under investigation, indicating its promise in various scientific and medical fields.

40872-87-5

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40872-87-5 Usage

Uses

Used in Pharmaceutical Industry:
Methyl 3-amino-4-chlorobenzoate is utilized as an intermediate in the synthesis of various pharmaceutical compounds. Its unique structure, which includes a chlorinated benzene ring and an amino group, allows for the development of new drugs with specific therapeutic properties.
Used in Agrochemical Industry:
In the agrochemical sector, Methyl 3-amino-4-chlorobenzoate is employed as a precursor for the production of pesticides and other agrochemicals. Its chemical properties enable the creation of effective compounds for pest control and crop protection.
Used in Chemical Synthesis:
Methyl 3-amino-4-chlorobenzoate is used as a building block in the synthesis of other important chemicals. Its versatile structure allows for further chemical reactions, leading to the formation of a wide range of compounds with various applications in different industries.
Used in Research and Development:
Methyl 3-amino-4-chlorobenzoate is also used in research and development settings to explore its potential biological activities and pharmacological properties. Scientists are investigating its interactions with biological systems to understand its possible applications in medicine and other fields.

Check Digit Verification of cas no

The CAS Registry Mumber 40872-87-5 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 4,0,8,7 and 2 respectively; the second part has 2 digits, 8 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 40872-87:
(7*4)+(6*0)+(5*8)+(4*7)+(3*2)+(2*8)+(1*7)=125
125 % 10 = 5
So 40872-87-5 is a valid CAS Registry Number.
InChI:InChI=1/C8H8ClNO2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,10H2,1H3

40872-87-5Relevant academic research and scientific papers

Calcitonin gene-related peptide (CGRP) receptor antagonists: Heterocyclic modification of a novel azepinone lead

Luo, Guanglin,Jiang, Xiang-Jun,Chen, Ling,Conway, Charles M.,Gulianello, Michael,Kostich, Walter,Keavy, Deborah,Signor, Laura J.,Chen, Ping,Davis, Carl,Whiterock, Valerie J.,Schartman, Richard,Widmann, Kimberly A.,Macor, John E.,Dubowchik, Gene M.

, (2021)

In our efforts to identify orally bioavailable CGRP receptor antagonists, we previously discovered a novel series of orally available azepinone derivatives that unfortunately also exhibited the unwanted property of potent time-dependent human CYP3A4 inhib

Synthesis, insecticidal evaluation and mode of action of novel anthranilic diamide derivatives containing sulfur moiety as potential ryanodine receptor activators

Li, Feng-Yun,Wang, Yuan-Hong,Liu, Jing-Bo,Li, Yu-Xin,Li, Zheng-Ming

, p. 769 - 776 (2019)

Anthranilic diamide insecticide could control lepidopteran pests by selectively binding and activating insect ryanodine receptors (RyRs), and the unique mode of action is different from other conventional insecticides. In order to discover new anthranilic

Efficient and recyclable bimetallic Co–Cu catalysts for selective hydrogenation of halogenated nitroarenes

Lu, Xionggang,Ren, Jiaan,Sheng, Yao,Wang, Xueguang,Wu, Baoqin,Zou, Xiujing

, (2021/12/20)

Silica supported N-doped carbon layers encapsulating Co–Cu nanoparticles (Co1Cux@CN/SiO2) were prepared by a one-step impregnation of Co(NO3)2·6H2O, Cu(NO3)2·3H2O, urea and glucose, following in situ carbothermal reduction. Effects of Cu contents on the catalytic performance of the Co1Cux@CN/SiO2 catalysts were investigated for selective hydrogenation of p-chloronitrobenzene to p-chloroaniline. The Co1Cu0.30@CN/SiO2 with Cu/Co molar ratio of 0.30:1 presented much higher activity and stability than the monometallic Co@CN/SiO2 catalyst. The addition of Cu into Co1Cux@CN/SiO2 catalysts had favorable effects on the formation of highly active Co–N sites and N-doped carbon layer. The role of the N-doped carbon layer was to protect the Co from oxidation by air, and the Co1Cu0.30@CN/SiO2 could be reused for at least 12 cycles without decrease in catalytic efficiency. Mechanistic and in situ infrared studies revealed that the interaction effect between the Co and Cu atoms made the surface of Co highly electron rich, which decreased adsorption of halogen groups and resulting in the enhanced selectivity during chemoselective hydrogenation of halogenated nitroarenes for a wide scope of substrates.

Structure-Based Design and Synthesis of Novel Inhibitors Targeting HDAC8 from Schistosoma mansoni for the Treatment of Schistosomiasis

Heimburg, Tino,Chakrabarti, Alokta,Lancelot, Julien,Marek, Martin,Melesina, Jelena,Hauser, Alexander-Thomas,Shaik, Tajith B.,Duclaud, Sylvie,Robaa, Dina,Erdmann, Frank,Schmidt, Matthias,Romier, Christophe,Pierce, Raymond J.,Jung, Manfred,Sippl, Wolfgang

supporting information, p. 2423 - 2435 (2016/04/10)

Schistosomiasis is a major neglected parasitic disease that affects more than 265 million people worldwide and for which the control strategy consists of mass treatment with the only available drug, praziquantel. In this study, a series of new benzohydroxamates were prepared as potent inhibitors of Schistosoma mansoni histone deacetylase 8 (smHDAC8). Crystallographic analysis provided insights into the inhibition mode of smHDAC8 activity by these 3-amidobenzohydroxamates. The newly designed inhibitors were evaluated in screens for enzyme inhibitory activity against schistosome and human HDACs. Twenty-seven compounds were found to be active in the nanomolar range, and some of them showed selectivity toward smHDAC8 over the major human HDACs (1 and 6). The active benzohydroxamates were additionally screened for lethality against the schistosome larval stage using a fluorescence-based assay. Four of these showed significant dose-dependent killing of the schistosome larvae and markedly impaired egg laying of adult worm pairs maintained in culture.

BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER

-

Page/Page column 115, (2015/06/18)

The present invention is directed to benzamide derivatives, pharmaceutical compositions containing them, and their use as FASN inhibitors, in for example, the treatment of cancer, obesity related disorders, liver related disorders and viral infections. Such compounds are represented by formula (I) as follows: wherein R1, R2, R3, R4, R5, m, n, (II) and (III) are defined herein.

MK2 INHIBITORS AND USES THEREOF

-

Paragraph 00708, (2014/10/03)

The present invention provides compounds, compositions thereof, and methods of using the same.

NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES

-

Page/Page column 201, (2011/11/01)

A compound of formula (I) as well as pharmaceutically acceptable salt thereof, wherein R1 to R5 have the significance given in claim 1, can be used as a medicament.

NOVEL 3,3-DIMETHYL TETRAHYDROQUINOLINE DERIVATIVES

-

Page/Page column 74, (2011/10/31)

A compound of formula (I) as well as pharmaceutically acceptable salt thereof, wherein R1 to R5 have the significance given in claim 1, can be used as a medicament.

Rational design of phosphoinositide 3-kinase inhibitors that exhibit selectivity over the phosphoinositide 3-kinase isoform

Heffron, Timothy P.,Wei, Binqing,Olivero, Alan,Staben, Steven T.,Tsui, Vickie,Do, Steven,Dotson, Jennafer,Folkes, Adrian J.,Goldsmith, Paul,Goldsmith, Richard,Gunzner, Janet,Lesnick, John,Lewis, Cristina,Mathieu, Simon,Nonomiya, Jim,Shuttleworth, Stephen,Sutherlin, Daniel P.,Wan, Nan Chi,Wang, Shumei,Wiesmann, Christian,Zhu, Bing-Yan

experimental part, p. 7815 - 7833 (2012/01/05)

Of the four class I phosphoinositide 3-kinase (PI3K) isoforms, PI3K has justly received the most attention for its potential in cancer therapy. Herein we report our successful approaches to achieve PI3K vs PI3K selectivity for two chemical series. In the thienopyrimidine series of inhibitors, we propose that select ligands achieve selectivity derived from a hydrogen bonding interaction with Arg770 of PI3K that is not attained with the corresponding Lys777 of PI3K. In the benzoxepin series of inhibitors, the selectivity observed can be rationalized by the difference in electrostatic potential between the two isoforms in a given region rather than any specific interaction.

Creating an antibacterial with in vivo efficacy: Synthesis and characterization of potent inhibitors of the bacterial cell division protein FTSZ with improved pharmaceutical properties

Haydon, David J.,Bennett, James M.,Brown, David,Collins, Ian,Galbraith, Greta,Lancett, Paul,MacDonald, Rebecca,Stokes, Neil R.,Chauhan, Pramod K.,Sutariya, Jignesh K.,Nayal, Narendra,Srivastava, Anil,Beanland, Joy,Hall, Robin,Henstock, Vincent,Noula, Caterina,Rockley, Chris,Czaplewski, Lloyd

supporting information; experimental part, p. 3927 - 3936 (2010/09/04)

3-Methoxybenzamide (1) is a weak inhibitor of the essential bacterial cell division protein FtsZ. Alkyl derivatives of 1 are potent antistaphylococcal compounds with suboptimal drug-like properties. Exploration of the structure-activity relationships of analogues of these inhibitors led to the identification of potent antistaphylococcal compounds with improved pharmaceutical properties.

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