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Chemical structure of CMI-392

GC33905

CMI-392

Also known as 3-[[2-[2-(4-chlorophenyl)sulfanylethoxy]-3-methoxy-5-[(2S,5S)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenyl]methyl]-1-hydroxy-1-methylurea

CMI-392 is a dual 5-lipoxygenese inhibitor and platelet-activating factor (PAF) receptor antagonist with IC50s of 100 and 10 nM, respectively

ChemicalCAS205654-37-1MW633.15FormulaC31H37ClN2O8S
CAS number
205654-37-1
Molecular weight
633.15
Formula
C31H37ClN2O8S
Solubility
Soluble in DMSO
InChIKey
LZVBMKDVEPGGFK-DQEYMECFSA-N
Catalogue number
GC33905
Brand
GLPBIO
Computed properties PubChem CID 6918268 · XLogP 4.9 · TPSA 133 Ų · H-bond donors 2
XLogP
4.9
TPSA
133 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
13
Heavy atoms
43

SMILES CN(C(=O)NCC1=C(C(=CC(=C1)[C@@H]2CC[C@H](O2)C3=CC(=C(C(=C3)OC)OC)OC)OC)OCCSC4=CC=C(C=C4)Cl)O

Computed descriptors from PubChem (CID 6918268), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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