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Chemical structure of Cyclopamine

GC13441

Cyclopamine

Also known as (3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3',6',10,11b-tetramethylspiro[2,3,4,6,6a,6b,7,8,11,11a-decahydro-1H-benzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-3-ol

Cyclopamine is a naturally occurring Hedgehog (Hh)-specific small-molecule signaling steroidal alkaloid inhibitor, causes a profound inhibition of tumor growth, has significant anti-invasive, anti-proliferative and anti-estrogenic potency in human breast cancer cells

ChemicalCAS4449-51-8MW411.62FormulaC27H41NO2
CAS number
4449-51-8
Molecular weight
411.62
Formula
C27H41NO2
Solubility
≥ 6·9mg/mL in DMSO
InChIKey
QASFUMOKHFSJGL-LAFRSMQTSA-N
Catalogue number
GC13441
Brand
GLPBIO
Computed properties PubChem CID 442972 · XLogP 3.5 · TPSA 41.5 Ų · H-bond donors 2
XLogP
3.5
TPSA
41.5 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
30

SMILES C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1

Computed descriptors from PubChem (CID 442972), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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