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Chemical structure of SDZ 224-015

GC62444

SDZ 224-015

Also known as [(3S)-5-ethoxy-3-[[(2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]-2,5-dioxopentyl] 2,6-dichlorobenzoate

SDZ 224-015 is an orally active inhibitor of the interleukin-1 beta (IL-1β) converting enzyme and caspase-1

ChemicalCAS161511-45-1MW652.52FormulaC30H35Cl2N3O9
CAS number
161511-45-1
Molecular weight
652.52
Formula
C30H35Cl2N3O9
Solubility
DMSO ： 100 mg/mL (153·25 mM; Need ultrasonic)
InChIKey
VMKPCENEHPIWJT-DOPYIHRPSA-N
Catalogue number
GC62444
Brand
GLPBIO
Computed properties PubChem CID 10189783 · XLogP 4.7 · TPSA 166 Ų · H-bond donors 3
XLogP
4.7
TPSA
166 Ų
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
18
Heavy atoms
44

SMILES CCOC(=O)C[C@@H](C(=O)COC(=O)C1=C(C=CC=C1Cl)Cl)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)OCC2=CC=CC=C2

Computed descriptors from PubChem (CID 10189783), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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