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Chemical structure of ML-792

GC36631

ML-792

Also known as [(1R,2S,4R)-4-[[5-[1-[(3-bromophenyl)methyl]pyrazole-3-carbonyl]pyrimidin-4-yl]amino]-2-hydroxycyclopentyl]methyl sulfamate

ML-792 is a specific inhibitor of small ubiquitin-like modifier (SUMO) activating enzyme (SAE), which can inhibit SAE/SUMO1 and SAE/SUMO2 with IC50 of 3nM and 11nM, respectively

ChemicalCAS1644342-14-2MW551.41FormulaC21H23BrN6O5S
CAS number
1644342-14-2
Molecular weight
551.41
Formula
C21H23BrN6O5S
Solubility
DMSO： 100 mg/mL (181·35 mM)
InChIKey
PZCKLTWSXFDLLP-OGWOLHLISA-N
Catalogue number
GC36631
Brand
GLPBIO
Computed properties PubChem CID 86566743 · XLogP 2.3 · TPSA 171 Ų · H-bond donors 3
XLogP
2.3
TPSA
171 Ų
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
9
Heavy atoms
34

SMILES C1[C@H](C[C@@H]([C@H]1COS(=O)(=O)N)O)NC2=NC=NC=C2C(=O)C3=NN(C=C3)CC4=CC(=CC=C4)Br

Computed descriptors from PubChem (CID 86566743), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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