13,14-Dihydroprostaglandin E1, Prostaglandin E1 (PGE1) metabolite

Key facts

CAS number

19313-28-1

Purity

>98%

Molecular weight

356.5 Da

Molecular formula

C₂₀H₃₆O₅

PubChem

161273

Nature

Synthetic

Solubility

Soluble in DMSO to 100 mM

Soluble in ethanol to 100 mM

Biochemical name

13,14-Dihydro-PGE1

Biological description

Endogenous prostaglandin E1 (PGE1) metabolite. Inhibits ADP induced platelet aggregation *in vitro* (IC50 = 31 nM). Antimitotic agent.

Canonical smiles

CCCCCC(CCC1C(CC(=O)C1CCCCCCC(=O)O)O)O

Isomeric smiles

CCCCC[C@@H](CC[C@H]1[C@@H](CC(=O)[C@@H]1CCCCCCC(=O)O)O)O

InChi

InChI=1S/C20H36O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h15-17,19,21,23H,2-14H2,1H3,(H,24,25)/t15-,16+,17+,19+/m0/s1

InChiKey

DPOINJQWXDTOSF-DODZYUBVSA-N

IUPAC Name

7-[(1R,2R,3R)-3-hydroxy-2-[(3S)-3-hydroxyoctyl]-5-oxocyclopentyl]heptanoic acid