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3-AMINO-5-(4-BROMOPHENYL)THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER is a chemical compound with the molecular formula C13H10BrNO2S. It is an ester derivative of thiophene carboxylic acid, and it contains an amino group and a bromophenyl group on the thiophene ring. 3-AMINO-5-(4-BROMOPHENYL)THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER is known for its diverse biological activities and is a valuable building block in the field of organic synthesis.

91076-95-8

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91076-95-8 Usage

Uses

Used in Pharmaceutical Synthesis:
3-AMINO-5-(4-BROMOPHENYL)THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER is used as an intermediate in the synthesis of pharmaceuticals for its potential applications in medicinal chemistry.
Used in Agrochemical Synthesis:
3-AMINO-5-(4-BROMOPHENYL)THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER is also used as an intermediate in the synthesis of agrochemicals, contributing to the development of new pesticides and other agricultural products.
Used in Organic Synthesis:
3-AMINO-5-(4-BROMOPHENYL)THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER is used as a building block in the preparation of various heterocyclic compounds, which are important in the field of organic synthesis.

Check Digit Verification of cas no

The CAS Registry Mumber 91076-95-8 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,1,0,7 and 6 respectively; the second part has 2 digits, 9 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 91076-95:
(7*9)+(6*1)+(5*0)+(4*7)+(3*6)+(2*9)+(1*5)=138
138 % 10 = 8
So 91076-95-8 is a valid CAS Registry Number.
InChI:InChI=1/C12H10BrNO2S/c1-16-12(15)11-9(14)6-10(17-11)7-2-4-8(13)5-3-7/h2-6H,14H2,1H3

91076-95-8SDS

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 3-amino-5-(4-bromophenyl)thiophene-2-carboxylate

1.2 Other means of identification

Product number -
Other names -

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:91076-95-8 SDS

91076-95-8Relevant academic research and scientific papers

Design, Synthesis, and Biological Evaluation of 6-Substituted Thieno[3,2- d]pyrimidine Analogues as Dual Epidermal Growth Factor Receptor Kinase and Microtubule Inhibitors

Romagnoli, Romeo,Prencipe, Filippo,Oliva, Paola,Baraldi, Stefania,Baraldi, Pier Giovanni,Schiaffino Ortega, Santiago,Chayah, Mariem,Kimatrai Salvador, Maria,Lopez-Cara, Luisa Carlota,Brancale, Andrea,Ferla, Salvatore,Hamel, Ernest,Ronca, Roberto,Bortolozzi, Roberta,Mariotto, Elena,Mattiuzzo, Elena,Viola, Giampietro

supporting information, p. 1274 - 1290 (2019/01/30)

The clinical evidence for the success of tyrosine kinase inhibitors in combination with microtubule-targeting agents prompted us to design and develop single agents that possess both epidermal growth factor receptor (EGFR) kinase and tubulin polymerization inhibitory properties. A series of 6-aryl/heteroaryl-4-(3′,4′,5′-trimethoxyanilino)thieno[3,2-d]pyrimidine derivatives were discovered as novel dual tubulin polymerization and EGFR kinase inhibitors. The 4-(3′,4′,5′-trimethoxyanilino)-6-(p-tolyl)thieno[3,2-d]pyrimidine derivative 6g was the most potent compound of the series as an antiproliferative agent, with half-maximal inhibitory concentration (IC50) values in the single- or double-digit nanomolar range. Compound 6g bound to tubulin in the colchicine site and inhibited tubulin assembly with an IC50 value of 0.71 μM, and 6g inhibited EGFR activity with an IC50 value of 30 nM. Our data suggested that the excellent in vitro and in vivo profile of 6g may be derived from its dual inhibition of tubulin polymerization and EGFR kinase.

One-pot synthesis of 2-substituted thieno[3,2-b]indoles from 3-aminothiophene-2-carboxylates through in situ generated 3-aminothiophenes

Irgashev, Roman A.,Steparuk, Alexander S.,Rusinov, Gennady L.

supporting information, (2019/09/30)

A convenient protocol for one-pot synthesis of thieno[3,2-b]indoles, bearing aromatic, thien-2-yl or styryl fragments at C-2 position, from easily accessible 5-substituted 3-aminothiophene-2-carboxylates using the Fischer indolization reaction, was develo

Novel small molecule inhibitors targeting the "switch region" of bacterial RNAP: Structure-based optimization of a virtual screening hit

Sahner, J. Henning,Groh, Matthias,Negri, Matthias,Haupenthal, J?rg,Hartmann, Rolf W.

supporting information, p. 223 - 231 (2013/10/01)

Rising resistance against current antibiotics necessitates the development of antibacterial agents with alternative targets. The "switch region" of RNA polymerase (RNAP), addressed by the myxopyronins, could be such a novel target site. Based on a hit can

Combining in silico and biophysical methods for the development of pseudomonas aeruginosa quorum sensing inhibitors: An alternative approach for structure-based drug design

Sahner, J. Henning,Brengel, Christian,Storz, Michael P.,Groh, Matthias,Plaza, Alberto,Müller, Rolf,Hartmann, Rolf W.

, p. 8656 - 8664 (2013/12/04)

The present work deals with the optimization of an inhibitor of PqsD, an enzyme essential for Pseudomonas aeruginosa quorum sensing apparatus. Molecular docking studies, supported by biophysical methods (surface plasmon resonance, isothermal titration cal

Potent, selective, and orally efficacious antagonists of melanin-concentrating hormone receptor 1

Tavares, Francis X.,Al-Barazanji, Kamal A.,Bigham, Eric C.,Bishop, Michael J.,Britt, Christy S.,Carlton, David L.,Feldman, Paul L.,Goetz, Aaron S.,Grizzle, Mary K.,Guo, Yu C.,Handlon, Anthony L.,Hertzog, Donald L.,Ignar, Diane M.,Lang, Daniel G.,Ott, Ronda J.,Peat, Andrew J.,Zhou, Hui-Qiang

, p. 7095 - 7107 (2008/04/18)

The high expression of MCH in the hypothalamus with the lean hypophagic phenotype coupled with increased resting metabolic rate and resistance to high fat diet-induced obesity of MCH KO mice has spurred considerable efforts to develop small molecule MCHR1 antagonists. Starting from a lead thienopyrimidinone series, structure-activity studies at the 3- and 6-positions of the thienopyrimidinone core afforded potent and selective MCHR1 antagonists with representative examples having suitable pharmacokinetic properties. Based on structure-activity relationships, a structural model for MCHR1 was constructed to explain the binding mode of these antagonists. In general, a good correlation was observed between pKas and activity in the right-hand side of the template, with Asp123 playing an important role in the enhancement of binding affinity. A representative example when evaluated chronically in diet-induced obese mice resulted in good weight loss effects. These antagonists provide a viable lead series in the discovery of new therapies for the treatment of obesity.

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