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Chemical structure of 16,16-dimethyl Prostaglandin E2 p-(p-acetamidobenzamido) phenyl ester

GC41943

16,16-dimethyl Prostaglandin E2 p-(p-acetamidobenzamido) phenyl ester

Also known as [4-[(4-acetamidobenzoyl)amino]phenyl] (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]hept-5-enoate

The p-(p-acetamidobenzamido) phenyl ester is a crystalline derivative of 16,16-dimethyl PGE2 and a potential prodrug

ChemicalCAS62873-55-6MW632.8FormulaC37H48N2O7
CAS number
62873-55-6
Molecular weight
632.8
Formula
C37H48N2O7
Solubility
DMF： 40 mg/ml,DMSO： 20 mg/ml,Ethanol： 40 mg/ml,PBS (7·2)： ＜100 μ g/ml
InChIKey
YDCXQLUDGIVYHN-NMEIOLPRSA-N
Catalogue number
GC41943
Brand
GLPBIO
Computed properties PubChem CID 6449809 · XLogP 5.2 · TPSA 142 Ų · H-bond donors 4
XLogP
5.2
TPSA
142 Ų
H-bond donors
4
H-bond acceptors
7
Rotatable bonds
17
Heavy atoms
46

SMILES CCCCC(C)(C)[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)OC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NC(=O)C)O)O

Computed descriptors from PubChem (CID 6449809), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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