ONO-9054 - Moligand™ , Prostanoid FP receptor agonist, CAS No.1262873-06-2, Prostanoid FP receptor agonist

CAS: 1262873-06-2 Cat. No.: O612522 Molecular Weight: 482.6 PubChem CID: 50902259

GRADE & PURITY Moligand™

Synonyms

SEPETAPROST [WHO-DD] | STN1012600 | STN-1012600 | DB12043 | Sepetoprost | GTPL9875 | Sepetaprost [INN] | SCHEMBL3702088 | ONO-9054 | 1262873-06-2 | Sepetaprost | 2-Propanyl 4-((3S,5aR,6R,7R,8aS)-6-((1E,3R)-4-(2,5-difluorophenoxy)-3-hydroxy-1-buten-1-7-hyd

Storage

Room temperature

Specifications

Synonyms

SEPETAPROST [WHO-DD] | STN1012600 | STN-1012600 | DB12043 | Sepetoprost | GTPL9875 | Sepetaprost [INN] | SCHEMBL3702088 | ONO-9054 | 1262873-06-2 | Sepetaprost | 2-Propanyl 4-((3S, 5aR, 6R, 7R, 8aS)-6-((1E, 3R)-4-(2, 5-difluorophenoxy)-3-hydroxy-1-buten-1-7-hyd

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Prostanoid FP receptor agonist

Product Properties

• ALogP: 3.8

Names and Identifiers

• Canonical Smiles: CC(OC(=O)CCC[C@H]1CC[C@H]2[C@@H](OC1)C[C@H]([C@@H]2/C=C/[C@H](COc1cc(F)ccc1F)O)O)C
• IUPAC Name: propan-2-yl 4-[(3S,5aR,6R,7R,8aS)-6-[(E,3R)-4-(2,5-difluorophenoxy)-3-hydroxybut-1-enyl]-7-hydroxy-3,4,5,5a,6,7,8,8a-octahydro-2H-cyclopenta[b]oxepin-3-yl]butanoate
• InChIKey: BKVUSNOUTQMSBE-XCMGCKIWSA-N
• INCHI: 1S/C26H36F2O6/c1-16(2)34-26(31)5-3-4-17-6-9-21-20(23(30)13-24(21)32-14-17)10-8-19(29)15-33-25-12-18(27)7-11-22(25)28/h7-8,10-12,16-17,19-21,23-24,29-30H,3-6,9,13-15H2,1-2H3/b10-8+/t17-,19+,20+,21+,23+,24-/m0/s1
• Isomeric SMILES: CC(C)OC(=O)CCC[C@H]1CC[C@H]2[C@H](C[C@H]([C@@H]2/C=C/[C@H](COC3=C(C=CC(=C3)F)F)O)O)OC1
• PubChem CID: 50902259
• Molecular Weight: 482.6

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Eicosanoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Prostaglandins and related compounds
• Alternative Parents: Phenoxy compounds Phenol ethers Oxepanes Alkyl aryl ethers Fatty acid esters Fluorobenzenes Aryl fluorides Secondary alcohols Carboxylic acid esters Cyclic alcohols and derivatives Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Organofluorides Carbonyl compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Prostaglandin skeleton - Phenoxy compound - Phenol ether - Alkyl aryl ether - Oxepane - Fatty acid ester - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Cyclic alcohol - Carboxylic acid ester - Secondary alcohol - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alcohol - Aromatic heteropolycyclic compound
• Description: 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

Associated Targets(Human)

PTGFR Tclin Prostaglandin F2-alpha receptor (2 Activities)

Discover Target: PTGFR

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

PTGFR Tclin Prostanoid FP receptor (687 Activities)

Discover Target: PTGFR

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

Mechanisms of Action