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Chemical structure of PF-4693627

GC18700

PF-4693627

Also known as 1-[5-chloro-6-(4-chlorophenyl)-1,3-benzoxazol-2-yl]-N-[(1S,3S)-3-(hydroxymethyl)cyclohexyl]piperidine-4-carboxamide

PF-4693627 is an orally bioavailable inhibitor of microsomal prostaglandin E (PGE) synthase-1 (mPGES-1; IC50 = 3 nM)

ChemicalCAS1312815-93-2MW502.4FormulaC26H29Cl2N3O3
CAS number
1312815-93-2
Molecular weight
502.4
Formula
C26H29Cl2N3O3
Solubility
DMF： 10 mg/ml,DMSO： 10 mg/ml,DMSO：PBS (pH 7·2) (1：2)： 0·33 mg/ml,Ethanol： 5 mg/ml
InChIKey
CPDNPVKDQXLYHO-JXFKEZNVSA-N
Catalogue number
GC18700
Brand
GLPBIO
Computed properties PubChem CID 53252516 · XLogP 5.7 · TPSA 78.6 Ų · H-bond donors 2
XLogP
5.7
TPSA
78.6 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
34

SMILES C1C[C@@H](C[C@H](C1)NC(=O)C2CCN(CC2)C3=NC4=C(O3)C=C(C(=C4)Cl)C5=CC=C(C=C5)Cl)CO

Computed descriptors from PubChem (CID 53252516), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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