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Chemical structure of Subasumstat

GC64972

Subasumstat

Also known as [(1R,2S,4R)-4-[[5-[4-[(1R)-7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl]-5-methylthiophene-2-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate

Subasumstat is a selective inhibitor of the SUMOylation enzyme cascade with potent anti-leukemic activity

ChemicalCAS1858276-04-6MW578.1FormulaC25H28ClN5O5S2
CAS number
1858276-04-6
Molecular weight
578.1
Formula
C25H28ClN5O5S2
Solubility
DMSO ： 16·67 mg/mL (28·84 mM; ultrasonic and warming and heat to 80°C)
InChIKey
LXRZVMYMQHNYJB-UNXOBOICSA-N
Catalogue number
GC64972
Brand
GLPBIO
Computed properties PubChem CID 118628567 · XLogP 3.5 · TPSA 193 Ų · H-bond donors 4
XLogP
3.5
TPSA
193 Ų
H-bond donors
4
H-bond acceptors
11
Rotatable bonds
8
Heavy atoms
38

SMILES CC1=C(C=C(S1)C(=O)C2=CN=CN=C2N[C@@H]3C[C@@H]([C@H](C3)O)COS(=O)(=O)N)[C@H]4C5=C(CCN4)C=CC(=C5)Cl

Computed descriptors from PubChem (CID 118628567), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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