AGN192093 - Moligand™ , Agonist of TP receptor, CAS No.159359-95-2, Agonist of TP receptor

CAS: 159359-95-2 Cat. No.: A607454 PubChem CID: 11968293

GRADE & PURITY Moligand™

Synonyms

AGN 192093;AGN-192093

Storage

Room temperature

Specifications

Synonyms

AGN 192093;AGN-192093

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of TP receptor

Names and Identifiers

Canonical Smiles

CCCCC[C@@H](/C=C/[C@H]1[C@H]2OC(=O)O[C@H]([C@@H]1C/C=C\CCCCO)C2)O

IUPAC Name

(1S,5S,6R,7R)-6-[(2Z)-7-hydroxyhept-2-en-1-yl]-7-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2,4-dioxabicyclo[3.2.1]octan-3-one

InChIKey

PTIUXNGGNGQHQK-KTEVXADTSA-N

INCHI

1S/C21H34O5/c1-2-3-7-10-16(23)12-13-18-17(11-8-5-4-6-9-14-22)19-15-20(18)26-21(24)25-19/h5,8,12-13,16-20,22-23H,2-4,6-7,9-11,14-15H2,1H3/b8-5-,13-12+/t16-,17+,18+,19-,20-/m0/s1

Isomeric SMILES

CCCCC[C@@H](/C=C/[C@H]1[C@@H]2C[C@@H]([C@@H]1C/C=C\CCCCO)OC(=O)O2)O

PubChem CID

11968293

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty alcohols
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty alcohols
• Alternative Parents: 1,3-dioxepanes Carbonic acid diesters 1,3-dioxanes Secondary alcohols Oxacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Fatty alcohol - 1,3-dioxepane - Dioxepane - Meta-dioxane - Carbonic acid diester - Carbonic acid derivative - Secondary alcohol - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Alcohol - Primary alcohol - Organic oxide - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six 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)