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(R)-3-AMINO-3-(4-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID is a chemical compound characterized by its molecular formula C11H12F3NO2. It presents as a white or off-white crystalline powder with a melting point ranging from 95-98°C. (R)-3-AMINO-3-(4-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID is primarily recognized for its role as a pharmaceutical intermediate, facilitating the synthesis of a variety of drugs. Its potential therapeutic applications are currently under investigation, with promising indications as an anti-inflammatory and analgesic agent. Furthermore, it demonstrates activity as a γ-aminobutyric acid (GABA) receptor agonist, which may underlie its pharmacological properties. However, ongoing research is essential to elucidate its full mechanisms of action and explore its medical utility.

774178-39-1

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774178-39-1 Usage

Uses

Used in Pharmaceutical Industry:
(R)-3-AMINO-3-(4-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID is utilized as a pharmaceutical intermediate for the synthesis of various drugs, playing a crucial role in the development of new medicinal compounds.
Used in Therapeutic Applications:
In the field of medicine, (R)-3-AMINO-3-(4-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID is studied for its potential as an anti-inflammatory and analgesic agent, offering possible relief for conditions characterized by inflammation and pain.
Used in Neuropharmacology:
As a γ-aminobutyric acid (GABA) receptor agonist, (R)-3-AMINO-3-(4-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID is explored for its potential neurological applications, which may include the treatment of disorders related to the GABAergic system, such as anxiety, epilepsy, and other neurological conditions. Further research is necessary to confirm its efficacy and safety in these applications.

Check Digit Verification of cas no

The CAS Registry Mumber 774178-39-1 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 7,7,4,1,7 and 8 respectively; the second part has 2 digits, 3 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 774178-39:
(8*7)+(7*7)+(6*4)+(5*1)+(4*7)+(3*8)+(2*3)+(1*9)=201
201 % 10 = 1
So 774178-39-1 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)/t8-/m1/s1

774178-39-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name (R)-3-(p-Trifluoromethylphenyl)-beta-alanine

1.2 Other means of identification

Product number -
Other names (3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoic 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:774178-39-1 SDS

774178-39-1Downstream Products

774178-39-1Relevant 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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