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2-Bromo-5-phenyl-1,3,4-thiadiazole is a synthetic organic compound characterized by a thiadiazole ring structure, which includes a bromine atom and a phenyl group. Thiadiazoles are a class of heterocyclic compounds that contain sulfur and nitrogen in their ring structure. This specific compound is recognized for its potential biological activity, including antimicrobial, anticonvulsant, and anti-inflammatory properties. It is primarily utilized in chemical and medicinal research, and due to the presence of a bromine atom, it can also serve as a precursor in the synthesis of other organic compounds. A comprehensive investigation of its physical characteristics and safety measures is essential for its significant applications.

53645-95-7

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53645-95-7 Usage

Uses

Used in Chemical Research:
2-Bromo-5-phenyl-1,3,4-thiadiazole is used as a research compound for its unique structural features, contributing to the development of new chemical entities and understanding its reactivity and properties in various chemical reactions.
Used in Medicinal Research:
2-Bromo-5-phenyl-1,3,4-thiadiazole is used as a pharmaceutical candidate for its potential biological activity, particularly for its antimicrobial, anticonvulsant, and anti-inflammatory properties, which can be harnessed in the development of new drugs and therapies.
Used as a Precursor in Organic Synthesis:
Due to the presence of a bromine atom, 2-Bromo-5-phenyl-1,3,4-thiadiazole is used as a precursor in the synthesis of other organic compounds, facilitating the creation of novel molecules with potential applications in various industries.
Used in Pharmaceutical Industry:
2-Bromo-5-phenyl-1,3,4-thiadiazole is used as an active pharmaceutical ingredient or intermediate in the development of new drugs, leveraging its biological properties to address specific medical needs.
Used in Safety and Toxicity Studies:
2-Bromo-5-phenyl-1,3,4-thiadiazole is used in safety and toxicity studies to evaluate its potential risks and side effects, ensuring the safety of its applications in various fields.

Check Digit Verification of cas no

The CAS Registry Mumber 53645-95-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,3,6,4 and 5 respectively; the second part has 2 digits, 9 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 53645-95:
(7*5)+(6*3)+(5*6)+(4*4)+(3*5)+(2*9)+(1*5)=137
137 % 10 = 7
So 53645-95-7 is a valid CAS Registry Number.
InChI:InChI=1/C8H5BrN2S/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h1-5H

53645-95-7 Well-known Company Product Price

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  • Aldrich

  • (711373)  2-Bromo-5-phenyl-1,3,4-thiadiazole  97%

  • 53645-95-7

  • 711373-1G

  • 611.91CNY

  • Detail

53645-95-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Bromo-5-phenyl-1,3,4-thiadiazole

1.2 Other means of identification

Product number -
Other names phenyl-5-bromo-1,3,4-thiadiazole

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:53645-95-7 SDS

53645-95-7Relevant academic research and scientific papers

COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING THE SAME

-

Paragraph 0270-0273; 0296-0299, (2021/01/29)

The present specification provides a compound represented by chemical formula 1 and an organic light emitting device including the same. The compound may improve lifespan characteristics of the organic light emitting device.

Novel C7-substituted coumarins as selective monoamine oxidase inhibitors: Discovery, synthesis and theoretical simulation

Wang, Dong,Hong, Ren-Yuan,Guo, Mengyao,Liu, Yi,Chen, Nianhang,Li, Xun,Kong, De-Xin

, (2019/11/19)

There is a continued need to develop new selective human monoamine oxidase (hMAO) inhibitors that could be beneficial for the treatment of neurological diseases. However, hMAOs are closely related with high sequence identity and structural similarity, which hinders the development of selective MAO inhibitors. “Three-Dimensional Biologically Relevant Spectrum (BRS-3D)” method developed by our group has demonstrated its effectiveness in subtype selectivity studies of receptor and enzyme ligands. Here, we report a series of novel C7-substituted coumarins, either synthesized or commercially purchased, which were identified as selective hMAO inhibitors. Most of the compounds demonstrated strong activities with IC50 values (half-inhibitory concentration) ranging from sub-micromolar to nanomolar. Compounds, FR1 and SP1, were identified as the most selective hMAO-A inhibitors, with IC50 values of 1.5 nM (selectivity index (SI) 50 of 18 nM and 15 nM (SI > 2.74 and SI > 2.82). Docking calculations and molecular dynamic simulations were performed to elucidate the selectivity preference and SAR profiles.

Bicyclic alkaloid compound, preparation method and applications thereof

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Paragraph 0216; 0219, (2018/11/03)

The present invention relates to a bicyclic alkaloid compound, or a tautomer, a stereoisomer, a racemate, the non-equal mixture of enantiomers, a geometric isomer, a solvate, a pharmaceutically acceptable salt or a prodrug thereof, and a pharmaceutical composition containing the compound. The invention further discloses uses of the compounds and the pharmaceutical composition thereof as drugs, especially as anti-inflammatory drugs and anti-fibrotic drugs.

AZAADAMANTANE FORMATE ESTER AND PROCESS FOR PREPARING AZAADAMANTANE DERIVATIVES

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Paragraph 0150-0152, (2014/09/30)

A compound, (4s)-1-azaadamantane-4yl formate ester, is described. In addition, a process is described for preparing (4s)-1-azaadamantane-4yl formate ester, aminothiadiazole-phenyl phosphate salt, bromothiadizole-phenyl or (4s)-4-(5-phenyl-1,3,4-thiadiazol-2-yloxy)-1-azatricyclo[3.3.1.13,7]-decane dihydrogen citrate. Furthermore, a process is described, comprising step of hydrolyzing (4s)-1-azaadamantane-4yl formate ester to form (4s)-1-azaadamantan-4-ol HBr salt.

BIARYL SUBSTITUTED AZABICYCLIC ALKANE DERIVATIVES AS NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY MODULATORS

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Page/Page column 40, (2009/06/27)

The invention relates to biaryl substituted azabicyclic alkane derivatives, compositions comprising such compounds, and methods of treating conditions and disorders using such compounds and compositions.

Substituted diazabicycloalkane derivatives

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Page/Page column 67, (2010/02/11)

Compounds of formula (I) [in-line-formulae]Z-Ar1—Ar2??(I) [/in-line-formulae] wherein Z is a diazabicyclic amine, Ar1 is a 5- or 6-membered aromatic ring, and Ar2 is selected from the group consisting of an unsubstituted or substituted 5- or 6-membered heteroaryl ring; unsubstituted or substituted bicyclic heteroaryl ring; 3,4-(methylenedioxy)phenyl; carbazolyl; tetrahydrocarbazolyl; naphthyl; and phenyl; wherein the phenyl is substituted with 0, 1, 2, or 3 substituents in the meta- or para-positions. The compounds are useful in treating conditions or disorders prevented by or ameliorated by α7 nAChR ligands. Also disclosed are pharmaceutical compositions comprising compounds of formula (I) and methods for using such compounds and compositions.

Substituted diazabicycloakane derivatives

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Page/Page column 30, (2010/02/11)

Compounds of formula (I) Z-Ar1—Ar2??(I) wherein Z is a diazabicyclic amine, Ar1 is a 5- or 6-membered aromatic ring, and Ar2 is selected from an unsubstituted or substituted 5-membered heteroaryl ring; an unsubstituted or substituted 6-membered heteroaryl ring; 3,4-(methylenedioxy)phenyl; and phenyl substituted with 0, 1, 2, or 3 substituents in the meta- or para-positions. The compounds are useful in treating conditions or disorders prevented by or ameliorated by α7 nAChR ligands. Also disclosed are pharmaceutical compositions comprising compounds of formula (I) and methods for using such compounds and compositions.

SPIRO ′1-AZABICYCLO ′2.2.2!OCTAN-3,5′-OXAZOLIDIN -2′-ONE! DERIVATIVES WITH AFFINITY TO THE ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR

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Page/Page column 48, (2008/06/13)

Compounds of formula (I) and pharmaceutically-acceptable salts thereof, wherein Arl, A and Ar2 are as defined in the specification, pharmaceutical compositions and formulations containing them, methods of using them to treat diseases and conditions either alone or in combination with other therapeutically-active compounds or substances, processes and intermediates used to prepare them, uses of them as medicaments for therapy, uses of them in the manufacture of medicaments and uses of them for diagnostic and analytic purposes.

General facile synthesis of 2,5-diarylheteropentalenes

Vachal, Petr,Toth, Leslie M.

, p. 7157 - 7161 (2007/10/03)

Palladium-catalyzed cross-coupling reactions of various heteropentalene derivatives were systematically studied. A general three-step synthesis of 2,5-diarylheteropentalenes involving two Suzuki or Negishi couplings and a regiospecific bromination was developed. Nonsymmetrical 2,5-diaryl-furans, thiophenes, pyrroles, 1,3-thiazoles, 1,3-oxazoles, 1,3,4-thiadiazoles, and 1,3,4-oxadiazoles were prepared in 31-67% isolated yield (three steps).

Thiadiazole derivatives, process for their preparation, and their use as precursors for the production of liquid crystals

-

, (2008/06/13)

Thiadiazole derivatives of the formula (I) in which the symbols and indices have the following meanings: X is Cl, Br or I; B is 1,3,4-thiadiazole-2,5-diyl; A1, A2 and A3 are identical or different and are substituted or un

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