RS 93520 - Moligand™ , Agonist of DP 1 receptor, CAS No.R613308, Agonist of DP 1 receptor

CAS: R613308 Cat. No.: R613308 PubChem CID: 6438966

GRADE & PURITY Moligand™

Synonyms

(4E)-4-[(1S,2R,3S,6R)-2-[(3S)-3-Cyclohexyl-3-hydroxyprop-1-ynyl]-3-hydroxy-7-bicyclo[4.2.0]octanylidene]butanoic acid | RS 93427-007 | GTPL1886 | Q27088639 | RS-93520 | 4-[(1S,2R,3S,6R,7E)-2-[(3S)-3-cyclohexyl-3-hydroxyprop-1-yn-1-yl]-3-hydroxybicyclo[4.2

Storage

Room temperature

Specifications

Synonyms

(4E)-4-[(1S, 2R, 3S, 6R)-2-[(3S)-3-Cyclohexyl-3-hydroxyprop-1-ynyl]-3-hydroxy-7-bicyclo[4.2.0]octanylidene]butanoic acid | RS 93427-007 | GTPL1886 | Q27088639 | RS-93520 | 4-[(1S, 2R, 3S, 6R, 7E)-2-[(3S)-3-cyclohexyl-3-hydroxyprop-1-yn-1-yl]-3-hydroxybicyclo[4.2

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of DP 1 receptor

Names and Identifiers

• Canonical Smiles: OC(=O)CC/C=C/1\C[C@H]2[C@H]1CC[C@@H]([C@H]2C#C[C@H](C1CCCCC1)O)O
• IUPAC Name: 4-[(1S,2R,3S,6R,7E)-2-[(3S)-3-cyclohexyl-3-hydroxyprop-1-yn-1-yl]-3-hydroxybicyclo[4.2.0]octan-7-ylidene]butanoic acid
• InChIKey: LOWIKMYPLIPDBI-VQWMHQLJSA-N
• INCHI: 1S/C21H30O4/c22-19(14-5-2-1-3-6-14)11-10-17-18-13-15(7-4-8-21(24)25)16(18)9-12-20(17)23/h7,14,16-20,22-23H,1-6,8-9,12-13H2,(H,24,25)/b15-7+/t16-,17-,18-,19+,20-/m0/s1
• Isomeric SMILES: C1CCC(CC1)[C@@H](C#C[C@@H]2[C@H](CC[C@@H]\3[C@@H]2C/C3=C\CCC(=O)O)O)O
• PubChem CID: 6438966

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Alcohols and polyols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Not available
• Direct Parent: Cyclic alcohols and derivatives
• Alternative Parents: Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Cyclic alcohol - Secondary alcohol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as cyclic alcohols and derivatives. These are organic compounds containing an aliphatic ring substituted with at least one hydroxyl group.
• 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)

PTGDR Tclin Prostaglandin D2 receptor (1 Activities)

Discover Target: PTGDR

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