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Chemical structure of SSK1

GC63202

SSK1

Also known as [(2R,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]carbamoyloxymethyl]-2-nitrophenoxy]oxan-2-yl]methyl acetate

SSK1, a senescence-specific killing compound, is a β-galactosidase-targeted prodrug attenuates inflammation

ChemicalCAS2629250-69-5MW788.61FormulaC31H34F2N4O18
CAS number
2629250-69-5
Molecular weight
788.61
Formula
C31H34F2N4O18
Solubility
DMSO ： 200 mg/mL (253·61 mM; Need ultrasonic)
InChIKey
DLQYTWCQXUJEML-XERWOCHESA-N
Catalogue number
GC63202
Brand
GLPBIO
Computed properties PubChem CID 162642741 · XLogP 0.2 · TPSA 290 Ų · H-bond donors 3
XLogP
0.2
TPSA
290 Ų
H-bond donors
3
H-bond acceptors
20
Rotatable bonds
17
Heavy atoms
55

SMILES CC(=O)OC[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C=C(C=C2)COC(=O)NC3=NC(=O)N(C=C3)[C@H]4C([C@@H]([C@H](O4)CO)O)(F)F)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C

Computed descriptors from PubChem (CID 162642741), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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