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Chemical structure of S65487 sulfate

GC63531

S65487 sulfate

Also known as 5-[5-chloro-2-[(3S)-3-(morpholin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-N-(5-cyano-1,2-dimethylpyrrol-3-yl)-N-(4-hydroxyphenyl)-1,2-dimethylpyrrole-3-carboxamide;sulfuric acid

S65487 (VOB560) sulfate, a potent and selective Bcl-2 inhibitor, is a prodrug of S55746· S65487 sulfate is also active on BCL-2 mutations, such as G101V and D103Y· S65487 sulfate has poor affinity with MCL-1, BFL-1 and BCL-XL· S65487 sulfate induces apoptosis and has anticaner activities

ChemicalCAS2416937-01-2MW815.33FormulaC41H43ClN6O8S
CAS number
2416937-01-2
Molecular weight
815.33
Formula
C41H43ClN6O8S
Solubility
DMSO ： 135 mg/mL (165·58 mM; Need ultrasonic)
InChIKey
ZLAZYXMNPRHARH-WAQYZQTGSA-N
Catalogue number
GC63531
Brand
GLPBIO
Computed properties PubChem CID 162642598 · TPSA 190 Ų · H-bond donors 3 · H-bond acceptors 10
TPSA
190 Ų
H-bond donors
3
H-bond acceptors
10
Rotatable bonds
7
Heavy atoms
57

SMILES CC1=C(C=C(N1C)C2=C(C=CC(=C2)Cl)C(=O)N3CC4=CC=CC=C4C[C@H]3CN5CCOCC5)C(=O)N(C6=CC=C(C=C6)O)C7=C(N(C(=C7)C#N)C)C.OS(=O)(=O)O

Computed descriptors from PubChem (CID 162642598), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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