L-(-)-3-Phenyllactic acid - Moligand™, ≥98% , Agonist of HCA 3 receptor, CAS No.20312-36-1, Agonist of HCA 3 receptor

CAS: 20312-36-1 Cat. No.: P102441 Molecular Weight: 166.17 Beilstein Registry Number: 2209792 EC Number: 243-726-5

GRADE & PURITY Moligand™, ≥98%

Synonyms

(S)-(−)-3-Phenyllactic acid | (S)-2-Hydroxy-3-phenylpropionic acid | L-3-Phenyllactic acid

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

L-(-)-3-Phenyllactic acid has been used in the development of degradable self-assembling depsipeptide nanofibers.

Specifications

Synonyms

(S)-(−)-3-Phenyllactic acid | (S)-2-Hydroxy-3-phenylpropionic acid | L-3-Phenyllactic acid

Specifications & Purity

Moligand™, ≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of HCA 3 receptor

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504758831
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758831
• Canonical Smiles: C1=CC=C(C=C1)CC(C(=O)O)O
• IUPAC Name: (2S)-2-hydroxy-3-phenylpropanoic acid
• InChIKey: VOXXWSYKYCBWHO-QMMMGPOBSA-N
• INCHI: 1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m0/s1
• Isomeric SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)O)O
• WGK Germany: 3
• Molecular Weight: 166.17
• Beilstein: 2209792
• Reaxy-Rn: 2209791
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2209791&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Phenylpropanoic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Phenylpropanoic acids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpropanoic acids
• Alternative Parents: Benzene and substituted derivatives Alpha hydroxy acids and derivatives Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-phenylpropanoic-acid - Alpha-hydroxy acid - Monocyclic benzene moiety - Hydroxy acid - Benzenoid - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Alcohol - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
• External Descriptors: (2S)-2-hydroxy monocarboxylic acid - 3-phenyllactic acid

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

HCAR3 Tchem Hydroxycarboxylic acid receptor 3 (0 Activities)

Discover Target: HCAR3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• Solubility: Solubility in water gives very faint turbidity.
• Specific Rotation[α]: -20.0 to -22.0 deg(C=2, H2O)
• Melt Point(°C): 123-125°C
• Molecular Weight: 166.170 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 166.063 Da
• Monoisotopic Mass: 166.063 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 150.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

References

1. Rui Cai, Linlin Gao, Yuxiang Zhang, Lu Cui, Yahong Yuan, Zhouli Wang, Tianli Yue.  (2024)  Inactivation activity and mechanism of natural antimicrobial agents against Alicyclobacillus spp. in apple juice.  FOOD CONTROL,      [PMID:] [10.1016/j.foodcont.2024.111119]