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3-Amino-3-(4-ethylphenyl)propanoic acid, a chemical compound belonging to the classification of amino acids, peptides, and proteins, plays a fundamental role in various biological processes. With a chemical formula of C11H15NO2, it is composed of 11 carbon atoms, 15 hydrogen atoms, 1 nitrogen atom, and 2 oxygen atoms. Its structure features an ethylphenyl group, indicating the presence of hydrocarbon chains. The specific properties such as physical state, melting point, boiling point, or solubility of 3-AMINO-3-(4-ETHYLPHENYL)PROPANOIC ACID would depend on the conditions it is subjected to. Given its composition, it likely participates in reactions typical for compounds with amino and carboxylic groups. As with any chemical substance, it should be handled with care, and its safety and toxicity profiles require further study.

117391-52-3

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117391-52-3 Usage

Uses

Used in Pharmaceutical Industry:
3-Amino-3-(4-ethylphenyl)propanoic acid is used as a building block for the synthesis of pharmaceutical compounds due to its unique structure and functional groups. Its presence of amino and carboxylic groups allows it to participate in various chemical reactions, making it a valuable component in the development of new drugs.
Used in Biochemical Research:
In the field of biochemical research, 3-Amino-3-(4-ethylphenyl)propanoic acid serves as a valuable tool for studying the structure and function of proteins and peptides. Its unique structure allows researchers to investigate its interactions with other biomolecules and its role in various biological processes.
Used in Nutritional Supplements:
3-Amino-3-(4-ethylphenyl)propanoic acid may be used as a nutritional supplement to support protein synthesis and overall health. Its presence in the supplement can contribute to the maintenance of muscle mass and promote overall well-being.
Used in Cosmetics Industry:
In the cosmetics industry, 3-Amino-3-(4-ethylphenyl)propanoic acid can be used as an active ingredient in skincare products. Its unique structure and functional groups may provide benefits such as improving skin elasticity, reducing the appearance of fine lines and wrinkles, and promoting a more youthful complexion.

Check Digit Verification of cas no

The CAS Registry Mumber 117391-52-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,1,7,3,9 and 1 respectively; the second part has 2 digits, 5 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 117391-52:
(8*1)+(7*1)+(6*7)+(5*3)+(4*9)+(3*1)+(2*5)+(1*2)=123
123 % 10 = 3
So 117391-52-3 is a valid CAS Registry Number.
InChI:InChI=1/C11H15NO2/c1-2-8-3-5-9(6-4-8)10(12)7-11(13)14/h3-6,10H,2,7,12H2,1H3,(H,13,14)/t10-/m0/s1

117391-52-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 14, 2017

Revision Date: Aug 14, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Amino-3-(4-ethylphenyl)propanoic acid

1.2 Other means of identification

Product number -
Other names 3-AMINO-3-(4-ETHYLPHENYL)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:117391-52-3 SDS

117391-52-3Relevant academic research and scientific papers

Catalytic asymmetric oxidative carbonylation-induced kinetic resolution of sterically hindered benzylamines to chiral isoindolinones

Mu, Qiu-Qi,Nie, Yi-Xue,Li, Hang,Bai, Xing-Feng,Liu, Xue-Wei,Xu, Zheng,Xu, Li-Wen

supporting information, p. 1778 - 1781 (2021/02/27)

A highly enantioselective kinetic resolution of sterically hindered benzylamines has been achieved for the first time through transition-metal-catalyzed oxidative carbonylation, in which the new KR strategy offered a new approach to afford chiral isoindolinones (er up to 97?:?3) and the origin of chemoselectivity and stereoselectivity was confirmed by density functional theory (DFT) calculations.

Synthesis, molecular docking and biological evaluation of novel phthaloyl derivatives of 3-amino-3-aryl propionic acids as inhibitors of Trypanosoma cruzi trans-sialidase

Kashif, Muhammad,Chacón-Vargas, Karla Fabiola,López-Cedillo, Julio Cesar,Nogueda-Torres, Benjamín,Paz-González, Alma D.,Ramírez-Moreno, Esther,Agusti, Rosalia,Uhrig, Maria Laura,Reyes-Arellano, Alicia,Peralta-Cruz, Javier,Ashfaq, Muhammad,Rivera, Gildardo

, p. 252 - 268 (2018/07/14)

In the last two decades, trans-sialidase of Trypanosoma cruzi (TcTS) has been an important pharmacological target for developing new anti-Chagas agents. In a continuous effort to discover new potential TcTS inhibitors, 3-amino-3-arylpropionic acid derivatives (series A) and novel phthaloyl derivatives (series B, C and D) were synthesized and molecular docking, TcTS enzyme inhibition and determination of trypanocidal activity were carried out. From four series obtained, compound D-11 had the highest binding affinity value (?11.1 kcal/mol) compared to reference DANA (?7.8 kcal/mol), a natural ligand for TS enzyme. Furthermore, the 3D and 2D interactions analysis of compound D-11 showed a hydrogen bond, π-π stacking, π-anion, hydrophobic and Van der Waals forces with all important amino acid residues (Arg35, Arg245, Arg314, Tyr119, Trp312, Tyr342, Glu230 and Asp59) on the active site of TcTS. Additionally, D-11 showed the highest TcTS enzyme inhibition (86.9% ± 5) by high-performance ion exchange chromatography (HPAEC). Finally, D-11 showed better trypanocidal activity than the reference drugs nifurtimox and benznidazole with an equal % lysis (63 ± 4 and 65 ± 2 at 10 μg/mL) and LC50 value (52.70 ± 2.70 μM and 46.19 ± 2.36 μM) on NINOA and INC-5 strains, respectively. Therefore, D-11 is a small-molecule with potent TcTS inhibition and a strong trypanocidal effect that could help in the development of new anti-Chagas agents.

Phenylalanine aminomutase-catalyzed addition of ammonia to substituted cinnamic acids: A route to enantiopure α- and β-amino acids

Szymanski, Wiktor,Wu, Bian,Weiner, Barbara,De Wildeman, Stefaan,Feringa, Ben L.,Janssen, Dick B.

supporting information; experimental part, p. 9152 - 9157 (2010/03/01)

(Chemical Equation Presented) An approach is described for the synthesis of aromatic α- and β-amino acids that uses phenylalanine aminomutase to catalyze a highly enantioselective addition of ammonia to substituted cinnamic acids. The reaction has a broad scope and yields substituted α- and β-phenylalanines with excellent enantiomeric excess. The regioselectivity of the conversion is determined by substituents present at the aromatic ring. A box model for the enzyme active site is proposed, derived from the influence of the hydrophobicity of substituents on the enzyme affinity toward various substrates.

Effective cerebral antihypoxic activity of new aminocyclopentanones

Quermonne,Dallemagne,Louchahi-Raoul,Pilo,Rault,Robba

, p. 961 - 965 (2007/10/02)

Effective antihypoxic activity of new aminocyclopentanones which was higher than that of the reference compounds has been demonstrated by the SCR hypoxia test.

Une synthese simple des premieres amino-3 indanones-1

Rault, Sylvain,Dallemagne, Patrick,Robba, Max

, p. 1079 - 1083 (2007/10/02)

The synthesis of various substituted 3-amino-1-indanones was achieved in five steps starting from corresponding benzaldehydes.

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