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Chemical structure of hSMG-1 inhibitor 11j

GC61925

hSMG-1 inhibitor 11j

Also known as 1-[4-[4-[2-[4-chloro-3-(diethylsulfamoyl)anilino]pyrimidin-4-yl]-2-pyridinyl]phenyl]-3-methylurea

hSMG-1 inhibitor 11j, a pyrimidine derivative, is a potent and selective inhibitor of hSMG-1, with an IC50 of 0·11 nM· hSMG-1 inhibitor 11j exhibits >455-fold selectivity for hSMG-1 over mTOR (IC50=50 nM), PI3Kα/γ (IC50=92/60 nM) and CDK1/CDK2 (IC50=32/7·1 μM)· hSMG-1 inhibitor 11j can be used for the research of cancer

ChemicalCAS1402452-15-6MW566.07FormulaC27H28ClN7O3S
CAS number
1402452-15-6
Molecular weight
566.07
Formula
C27H28ClN7O3S
InChIKey
RZFJBSIAXYEPBX-UHFFFAOYSA-N
Catalogue number
GC61925
Brand
GLPBIO
Computed properties PubChem CID 71458575 · XLogP 3.8 · TPSA 138 Ų · H-bond donors 3
XLogP
3.8
TPSA
138 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
39

SMILES CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC2=NC=CC(=N2)C3=CC(=NC=C3)C4=CC=C(C=C4)NC(=O)NC)Cl

Computed descriptors from PubChem (CID 71458575), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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