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3-Bromo-4-oxo-4-phenylbutanoic acid, a chemical compound with the molecular formula C10H9BrO3, is a derivative of butanoic acid that features a bromo and a carbonyl group, along with a phenyl ring. 3-BROMO-4-OXO-4-PHENYLBUTANOIC ACID is recognized for its unique structure and properties, making it a valuable asset in the fields of organic chemistry and drug discovery. It is commonly utilized as a building block in organic synthesis and pharmaceutical research, with potential applications in the development of new drugs and pharmaceuticals.

53515-22-3

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53515-22-3 Usage

Uses

Used in Pharmaceutical Research:
3-Bromo-4-oxo-4-phenylbutanoic acid is used as a key building block in pharmaceutical research for its potential role in the development of new drugs and pharmaceuticals. Its unique structure and properties contribute to its value in the synthesis of various medicinal compounds.
Used in Medicinal Chemistry:
In the field of medicinal chemistry, 3-Bromo-4-oxo-4-phenylbutanoic acid is employed as a compound with demonstrated biological and pharmacological activities. Its presence in the synthesis of drugs can lead to the discovery of novel therapeutic agents with improved efficacy and safety profiles.
Used in Organic Synthesis:
3-Bromo-4-oxo-4-phenylbutanoic acid is utilized as a versatile intermediate in organic synthesis, where its reactivity and structural features enable the creation of a wide range of chemical products, including complex organic molecules and specialty chemicals.
Used in Drug Discovery:
3-BROMO-4-OXO-4-PHENYLBUTANOIC ACID is also used in drug discovery processes, where its unique properties can be leveraged to identify and optimize lead compounds with potential therapeutic applications. Its presence in the development pipeline can accelerate the discovery of new pharmaceuticals with innovative mechanisms of action.

Check Digit Verification of cas no

The CAS Registry Mumber 53515-22-3 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,3,5,1 and 5 respectively; the second part has 2 digits, 2 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 53515-22:
(7*5)+(6*3)+(5*5)+(4*1)+(3*5)+(2*2)+(1*2)=103
103 % 10 = 3
So 53515-22-3 is a valid CAS Registry Number.
InChI:InChI=1/C10H9BrO3/c11-8(6-9(12)13)10(14)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,13)/p-1/t8-/m1/s1

53515-22-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Bromo-4-oxo-4-phenylbutanoic acid

1.2 Other means of identification

Product number -
Other names 3-benzoyl-3-bromo-propionic acid

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:53515-22-3 SDS

53515-22-3Relevant academic research and scientific papers

Novel selective thiazoleacetic acids as CRTH2 antagonists developed from in silico derived hits. Part 1

Rist, ystein,Grimstrup, Marie,Receveur, Jean-Marie,Frimurer, Thomas M.,Ulven, Trond,Kostenis, Evi,Hoegberg, Thomas

scheme or table, p. 1177 - 1180 (2010/06/15)

Structure-activity relationships of three related series of 4-phenylthiazol-5-ylacetic acids, derived from two hits emanating from a focused library obtained by in silico screening, have been explored as CRTH2 (chemoattractant receptor-homologous molecule expressed on Th2 cells) antagonists. Several compounds with double digit nanomolar binding affinity and full antagonistic efficacy for human CRTH2 receptor were obtained in all subclasses. The most potent compound was [2-(4-chloro-benzyl)-4-(4-phenoxy-phenyl)-thiazol-5-yl]acetic acid having an binding affinity of 3.7 nM and functional antagonistic effect of 66 nM in a BRET and 12 nM in a cAMP assay with no functional activity for the other PGD2 DP receptor (27 μM in cAMP).

AN ALTERNATIVE ROUTE TO 4-BENZOYL-2-AZETIDINONES

Abdulla, Riaz F.,Williams, James C.

, p. 997 - 1000 (2007/10/02)

Cyclodehydrohalogenation by terminal N1-C4 bond formation affords N-aryl-4-benzoyl-2-azetidinones from 3-benzoyl-3-bromopropionanilides in an unequivocal annelation process.

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