L-(-)-3-Phenyllactic acid - Moligand™, 10mM in DMSO , Agonist of HCA 3 receptor, CAS No.20312-36-1, Agonist of HCA 3 receptor

CAS: 20312-36-1 Cat. No.: L422472 Formule: C₉H₁₀O₃ Poids moléculaire: 166.17 Beilstein Registry Number: 2209792 Numéro CE: 243-726-5

GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

(1S,9aR,11aS)-1-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one | (R)-phenyllactate | KW7SNV9X8B | D-b-Phenyllactate | delta-3-Phenyllactate | GTPL12418 | (R)-a-Hydroxy-3-phenylpropionic acid | (

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

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

Specifications

Synonymes

(1S,9aR,11aS)-1-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one | (R)-phenyllactate | KW7SNV9X8B | D-b-Phenyllactate | delta-3-Phenyllactate | GTPL12418 | (R)-a-Hydroxy-3-phenylpropionic acid | (

Spécifications et pureté

Moligand™, 10mM in DMSO

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

AGONIST

Mécanisme d'action

Agonist of HCA 3 receptor

Noms et identifiants

Pubchem Sid

528765099

Sourires canoniques

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

Isomères SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)O)O

WGK Allemagne

3

Poids moléculaire

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
    • Classe Phenylpropanoic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: 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

Cibles associées (humaines)

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)

Propriétés chimiques et physiques

• Rotation spécifique [α]: -20.0 to -22.0 deg(C=2, H2O)
• Point de fusion (°C): 123-125°C
• Poids moléculaire: 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