EP 171 - Moligand™ , Agonist of TP receptor, CAS No.E610143, Agonist of TP receptor

CAS: E610143 Cat. No.: E610143 PubChem CID: 5311384

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of TP receptor

Names and Identifiers

Canonical Smiles

OC(=O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H]([C@@H]1/C=C/[C@@H](COc1ccc(cc1)F)O)O2

IUPAC Name

(Z)-7-[(1S,4R,5R,6R)-5-[(E,3S)-4-(4-fluorophenoxy)-3-hydroxybut-1-enyl]-7-oxabicyclo[2.2.1]heptan-6-yl]hept-5-enoic acid

InChIKey

JEUSDRLWFSRHSX-XUEDOEMRSA-N

INCHI

1S/C23H29FO5/c24-16-7-10-18(11-8-16)28-15-17(25)9-12-20-19(21-13-14-22(20)29-21)5-3-1-2-4-6-23(26)27/h1,3,7-12,17,19-22,25H,2,4-6,13-15H2,(H,26,27)/b3-1-,12-9+/t17-,19+,20+,21-,22+/m0/s1

Isomeric SMILES

C1C[C@@H]2[C@@H]([C@H]([C@H]1O2)C/C=C\CCCC(=O)O)/C=C/[C@@H](COC3=CC=C(C=C3)F)O

PubChem CID

5311384

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Long-chain fatty acids
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers Fluorobenzenes Halogenated fatty acids Hydroxy fatty acids Heterocyclic fatty acids Unsaturated fatty acids Aryl fluorides Oxolanes Secondary alcohols Oxacyclic compounds Carboxylic acids Dialkyl ethers Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Long-chain fatty acid - Phenoxy compound - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Halogenated fatty acid - Heterocyclic fatty acid - Hydroxy fatty acid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Unsaturated fatty acid - Oxolane - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Organofluoride - Organohalogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
• 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)

TBXA2R Tclin Thromboxane A2 receptor (1 Activities)

Discover Target: TBXA2R

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