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Chemical structure of OSW-1

GC46194

OSW-1

Also known as [(2S,3R,4S,5R)-2-[(2S,3R,4S,5S)-3-acetyloxy-2-[[(3R,8S,9R,10R,13S,14R,16R,17S)-3,17-dihydroxy-10,13-dimethyl-17-[(2S)-6-methyl-3-oxoheptan-2-yl]-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]-5-hydroxyoxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl] 4-methoxybenzoate

OSW-1 is a specific antagonist of osterol-binding protein (OSBP) and OSBP-related protein 4 (ORP4)

ChemicalCAS145075-81-6MW873FormulaC47H68O15
CAS number
145075-81-6
Molecular weight
873
Formula
C47H68O15
Solubility
Methanol： soluble
InChIKey
MPXTYZZFIJTPPA-JOQRFCRPSA-N
Catalogue number
GC46194
Brand
GLPBIO
Computed properties PubChem CID 132694 · XLogP 4.3 · TPSA 217 Ų · H-bond donors 5
XLogP
4.3
TPSA
217 Ų
H-bond donors
5
H-bond acceptors
15
Rotatable bonds
15
Heavy atoms
62

SMILES C[C@H](C(=O)CCC(C)C)[C@]1([C@@H](C[C@H]2[C@@]1(CC[C@@H]3[C@@H]2CC=C4[C@@]3(CC[C@H](C4)O)C)C)O[C@H]5[C@@H]([C@H]([C@H](CO5)O)O[C@H]6[C@@H]([C@H]([C@@H](CO6)O)O)OC(=O)C7=CC=C(C=C7)OC)OC(=O)C)O

Computed descriptors from PubChem (CID 132694), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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