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 分子式: C₉H₁₀O₃ 分子量: 166.17 Beilstein Registry Number: 2209792 EC番号: 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

概要

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

Specifications

同義語

(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 | (

仕様と純度

Moligand™, 10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

AGONIST

作用メカニズム

Agonist of HCA 3 receptor

名前と識別子

パブケム・シド

528765099

カノニカル・スマイル

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

異性体SMILES

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

WGKドイツ

3

分子量

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
    • 分類 Phenylpropanoic acids

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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)

化学的性質と物理的性質

• 比旋光度［α］: -20.0 to -22.0 deg(C=2, H2O)
• 融点（°C）: 123-125°C
• 分子量: 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