CAS 82414-64-0

(9α,11α,13E,15S)-9,11,15-Trihydroxy-6-oxoprost-13-en-1-oic-3,3,4,4-d4 acid

Description:

The chemical substance known as "(9α,11α,13E,15S)-9,11,15-Trihydroxy-6-oxoprost-13-en-1-oic-3,3,4,4-d4 acid," with the CAS number 82414-64-0, is a synthetic derivative of prostaglandins, which are bioactive lipids involved in various physiological processes. This compound features multiple hydroxyl groups, indicating its potential for strong hydrogen bonding and solubility in polar solvents. The presence of a keto group contributes to its reactivity and biological activity. The specific stereochemistry, denoted by the configuration at various carbon centers, suggests that it may interact with biological receptors in a specific manner, influencing its pharmacological properties. The deuterated positions (3,3,4,4-d4) imply that this compound has been modified to include deuterium, which can enhance its stability and alter its metabolic pathways, making it useful in research applications, particularly in tracing studies or pharmacokinetic investigations. Overall, this compound's unique structural features position it as a significant molecule in the study of prostaglandin analogs and their therapeutic potential.

Formula: C₂₀H₃₀D₄O₆

InChI: InChI=1S/C20H34O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-19,21,23-24H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t14-,16+,17+,18+,19-/m0/s1/i5D2,6D2

InChI key: InChIKey=KFGOFTHODYBSGM-GKZGVFJGSA-N

SMILES: C(C(CC(C(CC(O)=O)([2H])[2H])([2H])[2H])=O)[C@@H]1[C@@H](/C=C/[C@H](CCCCC)O)[C@H](O)C[C@@H]1O

Synonyms:

• Prost-13-en-1-oic-3,3,4,4-d4 acid, 9,11,15-trihydroxy-6-oxo-, (9α,11α,13E,15S)-
• (9α,11α,13E,15S)-9,11,15-Trihydroxy-6-oxoprost-13-en-1-oic-3,3,4,4-d4 acid