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Cyclopamine

CAT: 1410-M14525-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M14525-04Size:25 mg
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Description
A natural steroidal alkaloid that inhibits hedgehog (Hh) signaling with IC50 of 46 nM.
CAS Number
4449-51-8
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
411.6199
Molecular Formula
C27H41NO2
Notes
Research use only, not for human use.
Receptor
Smoothened

Chemical Information

Cyclopamine

Cyclopamine is a member of piperidines. It has a role as a glioma-associated oncogene inhibitor.

CAS Number4449-51-8
PubChem CID442972
IUPAC Name(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
Molecular FormulaC27H41NO2
Molecular Weight411.6
XLogP3.5
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count30
Formal Charge0
Complexity801
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
InChI
InChI=1S/C27H41NO2/c1-15-11-24-25(28-14-15)17(3)27(30-24)10-8-20-21-6-5-18-12-19(29)7-9-26(18,4)23(21)13-22(20)16(27)2/h5,15,17,19-21,23-25,28-29H,6-14H2,1-4H3/t15-,17+,19-,20-,21-,23-,24+,25-,26-,27-/m0/s1
InChIKey
QASFUMOKHFSJGL-LAFRSMQTSA-N
Chemical Structure
2D Structure
2D structure of Cyclopamine
CAS: 4449-51-8
CID: 442972
Formula: C27H41NO2
MW: 411.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight411.6
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass411.313729551
Monoisotopic Mass411.313729551
Topological Polar Surface Area41.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity801
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
A8340-10Cyclopamine

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