(S)-N-oleoyltyrosinol - Moligand™ , Agonist of GPR119, CAS No.S613646, Agonist of GPR119

CAS: S613646 Cat. No.: S613646 PubChem CID: 10410511

GRADE & PURITY Moligand™

Synonyms

(Z)-N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]octadec-9-enamide | OMDM1 | OMDM-1 | SR-01000946214 | AKOS040733909 | 9-Octadecenamide, N-[(1S)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]ethyl]-, (9Z)- | NCGC00165853-01 | HY-121557 | OMDM-1, >=97% (HPLC),

Storage

Room temperature

Specifications

Synonyms

(Z)-N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]octadec-9-enamide | OMDM1 | OMDM-1 | SR-01000946214 | AKOS040733909 | 9-Octadecenamide, N-[(1S)-2-hydroxy-1-[(4-hydroxyphenyl)methyl]ethyl]-, (9Z)- | NCGC00165853-01 | HY-121557 | OMDM-1, >=97% (HPLC),

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of GPR119

Names and Identifiers

• Canonical Smiles: CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](Cc1ccc(cc1)O)CO
• IUPAC Name: (Z)-N-[(2S)-1-hydroxy-3-(4-hydroxyphenyl)propan-2-yl]octadec-9-enamide
• InChIKey: ICDMLAQPOAVWNH-JRUKXMRZSA-N
• INCHI: 1S/C27H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(31)28-25(23-29)22-24-18-20-26(30)21-19-24/h9-10,18-21,25,29-30H,2-8,11-17,22-23H2,1H3,(H,28,31)/b10-9-/t25-/m0/s1
• Isomeric SMILES: CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CC1=CC=C(C=C1)O)CO
• PubChem CID: 10410511

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Amphetamines and derivatives
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids N-acyl amines Secondary carboxylic acid amides Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Amphetamine or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty amide - N-acyl-amine - Fatty acyl - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - Primary alcohol - Organic nitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
• External Descriptors: Not available

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)

GPR119 Tclin Glucose-dependent insulinotropic receptor (1 Activities)

Discover Target: GPR119

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

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 431.700 g/mol
• XLogP3: 8.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 19
• Exact Mass: 431.34 Da
• Monoisotopic Mass: 431.34 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 444.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1