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4-BROMO-2-CHLOROBENZOIC ACID METHYL ESTER is a chemical compound characterized by the molecular formula C8H6BrClO2. It is a methyl ester derivative of 4-bromo-2-chlorobenzoic acid, featuring a unique structure that includes a bromo and chloro substituent on a benzene ring, with a methyl ester group attached to the carboxylic acid moiety.

185312-82-7

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185312-82-7 Usage

Uses

Used in Pharmaceutical Industry:
4-BROMO-2-CHLOROBENZOIC ACID METHYL ESTER is used as a building block for the synthesis of various pharmaceutical compounds due to its structural properties. It can contribute to the development of new drugs by serving as a key intermediate in the creation of more complex chemical structures.
Used in Dyes Industry:
In the dyes industry, 4-BROMO-2-CHLOROBENZOIC ACID METHYL ESTER is used as a precursor in the production of various dye compounds. Its unique structure allows for the creation of dyes with specific color characteristics and properties.
Used in Agrochemicals Industry:
4-BROMO-2-CHLOROBENZOIC ACID METHYL ESTER is utilized in the agrochemicals industry for the synthesis of various agrochemical compounds. Its structural properties make it a valuable component in the development of new agrochemicals with specific applications in agriculture.
Used in Organic Synthesis:
4-BROMO-2-CHLOROBENZOIC ACID METHYL ESTER is used as a building block in the synthesis of various organic compounds. Its unique structure allows for the creation of a wide range of organic molecules with diverse applications in research and industry.
Used in Medicinal Chemistry Research:
Due to its structural properties, 4-BROMO-2-CHLOROBENZOIC ACID METHYL ESTER has potential uses in medicinal chemistry. It is the subject of ongoing scientific research, with the aim of exploring its potential applications in the development of new therapeutic agents.

Check Digit Verification of cas no

The CAS Registry Mumber 185312-82-7 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,8,5,3,1 and 2 respectively; the second part has 2 digits, 8 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 185312-82:
(8*1)+(7*8)+(6*5)+(5*3)+(4*1)+(3*2)+(2*8)+(1*2)=137
137 % 10 = 7
So 185312-82-7 is a valid CAS Registry Number.
InChI:InChI=1/C8H6BrClO2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,1H3

185312-82-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name Methyl 4-bromo-2-chlorobenzoate

1.2 Other means of identification

Product number -
Other names methyl 2-chloro-4-bromobenzoate

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:185312-82-7 SDS

185312-82-7Relevant academic research and scientific papers

Compound serving as protein kinase inhibitor and application of compound

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Paragraph 0263-0266, (2021/04/07)

The invention discloses a compound used as a protein kinase inhibitor and application of the compound, the compound has an obvious inhibition effect on protein kinase activity, can be used as a BTK inhibitor for preparing medicines for treating BTK-mediated diseases such as malignant tumors, autoimmune diseases and the like, and has wide application prospect.

Catalytic Access to Functionalized Allylic gem-Difluorides via Fluorinative Meyer–Schuster-Like Rearrangement

An, Rui,Li, Huimin,Liao, Lihao,Wu, Jin-Ji,Xu, Yang,Zhao, Xiaodan

supporting information, p. 11010 - 11019 (2020/05/18)

An unprecedented approach for efficient synthesis of functionalized allylic gem-difluorides via catalytic fluorinative Meyer–Schuster-like rearrangement is disclosed. This transformation proceeded with readily accessible propargylic fluorides, and low-cost B–F reagents and electrophilic reagents by sulfide catalysis. A series of iodinated, brominated, and trifluoromethylthiolated allylic gem-difluorides that were difficult to access by other methods were facilely produced with a wide range of functional groups. Importantly, the obtained iodinated products could be incorporated into different drugs and natural products, and could be expediently converted into many other valuable gem-difluoroalkyl molecules as well. Mechanistic studies revealed that this reaction went through a regioselective fluorination of alkynes followed by a formal 1,3-fluorine migration under the assistance of the B–F reagents to give the desired products.

5-Aryl-1,3,4-oxadiazol-2-ylthioalkanoic Acids: A Highly Potent New Class of Inhibitors of Rho/Myocardin-Related Transcription Factor (MRTF)/Serum Response Factor (SRF)-Mediated Gene Transcription as Potential Antifibrotic Agents for Scleroderma

Kahl, Dylan J.,Hutchings, Kim M.,Lisabeth, Erika Mathes,Haak, Andrew J.,Leipprandt, Jeffrey R.,Dexheimer, Thomas,Khanna, Dinesh,Tsou, Pei-Suen,Campbell, Phillip L.,Fox, David A.,Wen, Bo,Sun, Duxin,Bailie, Marc,Neubig, Richard R.,Larsen, Scott D.

, p. 4350 - 4369 (2019/05/08)

Through a phenotypic high-throughput screen using a serum response element luciferase promoter, we identified a novel 5-aryl-1,3,4-oxadiazol-2-ylthiopropionic acid lead inhibitor of Rho/myocardin-related transcription factor (MRTF)/serum response factor (SRF)-mediated gene transcription with good potency (IC50 = 180 nM). We were able to rapidly improve the cellular potency by 5 orders of magnitude guided by sharply defined and synergistic SAR. The remarkable potency and depth of the SAR, as well as the relatively low molecular weight of the series, suggests, but does not prove, that binding to the unknown molecular target may be occurring through a covalent mechanism. The series nevertheless has no observable cytotoxicity up to 100 μM. Ensuing pharmacokinetic optimization resulted in the development of two potent and orally bioavailable anti-fibrotic agents that were capable of dose-dependently reducing connective tissue growth factor gene expression in vitro as well as significantly reducing the development of bleomycin-induced dermal fibrosis in mice in vivo.

INHIBITORS OF RHO/MRTF/SRF-MEDIATED GENE TRANSCRIPTION AND METHODS FOR USE OF THE SAME

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Paragraph 0067; 0112-0112, (2019/10/20)

Disclosed herein are inhibitors of Rho/MRTF/SRF-mediated gene transcription, and methods for their use in treating or preventing diseases such as cancer and fibrosis. In particular, disclosed herein are compounds of Formula (I) and pharmaceutically accept

Stilbene Boronic Acids Form a Covalent Bond with Human Transthyretin and Inhibit Its Aggregation

Smith, Thomas P.,Windsor, Ian W.,Forest, Katrina T.,Raines, Ronald T.

, p. 7820 - 7834 (2017/10/06)

Transthyretin (TTR) is a homotetrameric protein. Its dissociation into monomers leads to the formation of fibrils that underlie human amyloidogenic diseases. The binding of small molecules to the thyroxin-binding sites in TTR stabilizes the homotetramer and attenuates TTR amyloidosis. Herein, we report on boronic acid-substituted stilbenes that limit TTR amyloidosis in vitro. Assays of affinity for TTR and inhibition of its tendency to form fibrils were coupled with X-ray crystallographic analysis of nine TTR·ligand complexes. The ensuing structure-function data led to a symmetrical diboronic acid that forms a boronic ester reversibly with serine 117. This diboronic acid inhibits fibril formation by both wild-type TTR and a common disease-related variant, V30M TTR, as effectively as does tafamidis, a small-molecule drug used to treat TTR-related amyloidosis in the clinic. These findings establish a new modality for covalent inhibition of fibril formation and illuminate a path for future optimization.

3-(PYRIDIN-3-YL)-ACRYLAMIDE AND N-(PYRIDIN-3-YL)-ACRYLAMIDE DERIVATIVES AND THEIR USE AS PAK OR NAMPT MODULATORS

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Paragraph 00353, (2017/03/14)

The invention generally relates to cyclic compounds and, more particularly, to a compound represented by Structural Formula I: or a pharmaceutically acceptable salt thereof and pharmaceutical compositions comprising the multicyclic compounds. The invention also relates to a method for treating a disease or disorder selected from cancer (e.g., lymphoma, such as mantle cell lymphoma), a neurodegenerative disease, an inflammatory diseases or an immune system disease (e.g., a T- Cell mediated autoimmune diseases) in a subject in need thereof. The method comprises administering to a subject in need thereof a therapeutically effective amount of a compound of the invention, or a pharmaceutically acceptable salt thereof, or a composition comprising a compound of the invention, or a pharmaceutically acceptable salt thereof.

IMMUNE ADJUSTMENT COMPOUND, USE THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME

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Paragraph 0063; 0064, (2016/08/29)

The present invention provides a compound represented by formula I, wherein R is a halogen element or a C1-C6 alkyl group. The compound has S1 P1 receptor agonist activity and selective specificity and has obviously-shortened half-life in-vivo, and therefore the compound is a high-quality second-generation S1P1 receptor agonist. The present invention also provides a use of the compound in preparing medicine for treating diseases or symptoms mediated by an S1P1 receptor, a pharmaceutical composition comprising the compound, and uses of the compound and the pharmaceutical composition in treating diseases or symptoms mediated by the S1 P1 receptor.

TRIAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS

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Page/Page column 49; 50, (2016/10/04)

The present invention is directed to pyrimidine carboxamide compounds of formula I which are useful as therapeutic agents for the treatment of central nervous system disorders associated with phosphodiesterase 2 (PDE2). The present invention also relates to the use of such compounds for treating neurological and psychiatric disorders, such as schizophrenia, psychosis, Parkinson's disease, Parkinson's disease dementia (PDD), or Huntington's disease, and those associated with striatal hypofunction or basal ganglia dysfunction.

Rational design of a novel AMPA receptor modulator through a hybridization approach

Caldwell, Nicola,Harms, Jonathan E.,Partin, Kathryn M.,Jamieson, Craig

supporting information, p. 392 - 396 (2015/04/27)

The α-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) receptors are a family of glutamate ion channels of considerable interest in excitatory neurotransmission and associated disease processes. Here, we demonstrate how exploitation of the availa

FATTY ACID SYNTHASE INHIBITORS

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Page/Page column 87, (2014/01/18)

This invention relates to novel spirocyclic piperidines according to Formula (I) which are inhibitors of fatty acid synthase (FAS), to pharmaceutical compositions containing them, to processes for their preparation, and to their use in therapy for the treatment of cancers.

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