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Chemical structure of Aclimostat

GC70387

Aclimostat

Also known as [(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] 3-(2-morpholin-4-ylethyl)azetidine-1-carboxylate

Aclimostat (ZGN-1061) is a potent inhibitor of the MetAP2 enzyme and displays favorable efficacy and safety in preclinical studies

ChemicalCAS2082752-83-6MW478.62FormulaC26H42N2O6
CAS number
2082752-83-6
Molecular weight
478.62
Formula
C26H42N2O6
Solubility
DMSO ： 230 mg/mL (480·55 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
QJWJPMLDQYEPPW-AUKZVGPFSA-N
Catalogue number
GC70387
Brand
GLPBIO
Computed properties PubChem CID 126573394 · XLogP 2.3 · TPSA 76.3 Ų · H-bond donors 0
XLogP
2.3
TPSA
76.3 Ų
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
34

SMILES CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)N4CC(C4)CCN5CCOCC5)OC)C

Computed descriptors from PubChem (CID 126573394), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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