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3-AMINO-3-(4-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID is a chemical compound with the molecular formula C11H11F3NO2, derived from the amino acid alanine. It features a propionic acid backbone with an amino group and a trifluoromethylphenyl group attached, commonly utilized in pharmaceutical and medicinal research as a building block for drug synthesis. Its trifluoromethyl group contributes to the molecule's chemical and biological stability, making it a valuable asset in drug discovery and development.

180263-44-9

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180263-44-9 Usage

Uses

Used in Pharmaceutical and Medicinal Research:
3-AMINO-3-(4-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID is used as a building block for the synthesis of various drugs and pharmaceuticals, due to its versatile chemical structure and potential to be incorporated into new medicinal compounds.
Used in Anti-inflammatory and Analgesic Applications:
In the field of medicinal chemistry, 3-AMINO-3-(4-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID is studied for its potential anti-inflammatory and analgesic properties, making it a promising candidate for the development of new medications aimed at treating pain and inflammation.
Used in Drug Discovery and Development:
The trifluoromethyl group present in 3-AMINO-3-(4-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID enhances the chemical and biological stability of the molecule, which is crucial in drug discovery and development for improving the efficacy and safety of new pharmaceuticals.

Check Digit Verification of cas no

The CAS Registry Mumber 180263-44-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,8,0,2,6 and 3 respectively; the second part has 2 digits, 4 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 180263-44:
(8*1)+(7*8)+(6*0)+(5*2)+(4*6)+(3*3)+(2*4)+(1*4)=119
119 % 10 = 9
So 180263-44-9 is a valid CAS Registry Number.
InChI:InChI=1/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)8(14)5-9(15)16/h1-4,8H,5,14H2,(H,15,16)

180263-44-9SDS

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 3-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid

1.2 Other means of identification

Product number -
Other names 4-Trifluoromethyl-DL-b-phenylalanine

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:180263-44-9 SDS

180263-44-9Relevant academic research and scientific papers

Phenyl-oxamideHIV-1 inhibitors and preparation method and application thereof

-

Paragraph 0023; 0066-0067, (2019/07/04)

The invention relates to phenyl-oxamideHIV-1 inhibitors and a preparation method and application thereof. Compounds have the structure shown in the formula I. The invention further relates to drug compositions containing the compounds with the structure s

Structure activity relationships of αv integrin antagonists for pulmonary fibrosis by variation in aryl substituents

Adams, James,Anderson, Edward C.,Blackham, Emma E.,Chiu, Yin Wa Ryan,Clarke, Thomas,Eccles, Natasha,Gill, Luke A.,Haye, Joshua J.,Haywood, Harvey T.,Hoenig, Christian R.,Kausas, Marius,Le, Joelle,Russell, Hannah L.,Smedley, Christopher,Tipping, William J.,Tongue, Tom,Wood, Charlotte C.,Yeung, Jason,Rowedder, James E.,Fray, M. Jonathan,McInally, Thomas,Macdonald, Simon J. F.

supporting information, p. 1207 - 1212 (2015/04/27)

Antagonism of αvβ6 is emerging as a potential treatment of idiopathic pulmonary fibrosis based on strong target validation. Starting from an αvβ3 antagonist lead and through simple variation in the nature and position of the aryl substituent, the discovery of compounds with improved αvβ6 activity is described. The compounds also have physicochemical properties commensurate with oral bioavailability and are high quality starting points for a drug discovery program. Compounds 33S and 43E1 are pan αv antagonists having ca. 100 nM potency against αvβ3, αvβ5, αvβ6, and αvβ8 in cell adhesion assays. Detailed structure activity relationships with these integrins are described which also reveal substituents providing partial selectivity (defined as at least a 0.7 log difference in pIC50 values between the integrins in question) for αvβ3 and αvβ5.

Stereoselective chemoenzymatic preparation of β-amino esters: Molecular modelling considerations in lipase-mediated processes and application to the synthesis of (S)-dapoxetine

Rodriguez-Mata, Maria,Garcia-Urdiales, Eduardo,Gotor-Fernandez, Vicente,Gotor, Vicente

supporting information; experimental part, p. 395 - 406 (2010/06/15)

A wide range of optically active 3-amino-3-arylpropanoic acid derivatives have been prepared by means of a stereoselective chemoenzymatic route. The key step is the kinetic resolution of the corresponding β-amino esters. Although the enzymatic acylations of the amino group with ethyl methoxyacetate showed synthetically useful enantioselectivities, the hydrolyses of the ester group catalyzed by lipase from Pseudomonas cepacia have been identified as the optimal processes concerning both activity and enantioselectivity. The enantiopreference of this lipase in these reactions has been explained, at the molecular level, by using a fragment-based approach in which the most favoured binding site for a phenyl ring and the most stable conformation of the 3-aminopropanoate core nicely match the (S)-configuration of the major products. The conversion and enantioselectivity values of the enzymatic reactions have been compared in order to understand the influence of the different substitution patterns present in the phenyl ring. This chemoenzymatic route has been successfully applied to the preparation of a valuable intermediate in the synthesis of (S)-dapoxetine, which has been chemically synthesised in excellent optical purity.

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