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Chemical structure of PM-81I

GC71017

PM-81I

Also known as [[[4-[(E)-4-[[(2S)-1-[(2S)-2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-4-oxobut-2-en-2-yl]phenyl]-difluoromethyl]-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate

PM-81I is a potent STAT6 inhibitor (targeting the SH2 structural domain) that effectively reduces STAT6 phosphorylation levels

ChemicalCAS1637532-83-2MW845.91FormulaC43H58F2N3O10P
CAS number
1637532-83-2
Molecular weight
845.91
Formula
C43H58F2N3O10P
InChIKey
RWUNEWNLTKQICG-KDRQYZKKSA-N
Catalogue number
GC71017
Brand
GLPBIO
Computed properties PubChem CID 165412594 · XLogP 7.7 · TPSA 158 Ų · H-bond donors 1
XLogP
7.7
TPSA
158 Ų
H-bond donors
1
H-bond acceptors
12
Rotatable bonds
18
Heavy atoms
59

SMILES C/C(=C\C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N2CCC3=CC=CC=C3C2)C(C)(C)C)/C4=CC=C(C=C4)C(F)(F)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C

Computed descriptors from PubChem (CID 165412594), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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