AGN 191976 - Moligand™ , Agonist of TP receptor, CAS No.159359-94-1, Agonist of TP receptor

CAS: 159359-94-1 Cat. No.: A607453 PubChem CID: 73755173

GRADE & PURITY Moligand™

Synonyms

AGN-191976;AGN191976

Storage

Room temperature

Specifications

Synonyme

AGN-191976;AGN191976

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Aktionsart

AGONIST

Mechanismus der Wirkung

Agonist of TP receptor

Namen und Kennungen

Kanonisches Lächeln

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

IUPAC Name

(Z)-7-[(1R,5S,6R,7R)-7-[(3S)-3-hydroxyoctyl]-3-oxo-2,4-dioxabicyclo[3.2.1]octan-6-yl]hept-5-enoic acid

InChIKey

CVQLYMOSZQTFDP-NFUXFLSFSA-N

INCHI

1S/C21H34O6/c1-2-3-6-9-15(22)12-13-17-16(10-7-4-5-8-11-20(23)24)18-14-19(17)27-21(25)26-18/h4,7,15-19,22H,2-3,5-6,8-14H2,1H3,(H,23,24)/b7-4-/t15-,16+,17+,18-,19+/m0/s1

Isomere SMILES

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

PubChem CID

73755173

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Fatty Acyls
      • Subclass Eicosanoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Fatty Acyls
• Subclass: Eicosanoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Prostaglandins and related compounds
• Alternative Parents: Long-chain fatty acids Hydroxy fatty acids Heterocyclic fatty acids 1,3-dioxepanes Unsaturated fatty acids Carbonic acid diesters 1,3-dioxanes Secondary alcohols Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Prostaglandin skeleton - Long-chain fatty acid - 1,3-dioxepane - Dioxepane - Heterocyclic fatty acid - Hydroxy fatty acid - Meta-dioxane - Carbonic acid diester - Fatty acid - Unsaturated fatty acid - Secondary alcohol - Carbonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organic oxide - Alcohol - Organooxygen compound - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as prostaglandins and related compounds. These are unsaturated carboxylic acids consisting of a 20 carbon skeleton that also contains a five member ring, and are based upon the fatty acid arachidonic acid.
• 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

Zugehörige Ziele (menschlich)

TBXA2R Tclin Thromboxane A2 receptor (1 Activities)

Discover Target: TBXA2R

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

Häufig gestellte Fragen

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 159359-94-1. InChIKey CVQLYMOSZQTFDP-NFUXFLSFSA-N.