Products for Research Use Only
RegisterLogin

Jervine

CAT: 0957-S4747-01Size: 5 mgDry Ice: YesHazardous: No
Product image 1
1 / 1
CAT#:0957-S4747-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Jervine (11-Ketocyclopamine) is a Hedgehog signaling (IC50=500-700 nM) inhibitor that inhibits the sonic hedgehog (shh) pathway by interacting with smoothened.
CAS Number
469-59-0
Synonyms
11-Ketocyclopamine
Target
Hedgehog/Smoothened
Activity
Stem Cells & Wnt
Molecular Formula
C27H39NO3
Storage Conditions
2 years -80 in solvent

Chemical Information

Jervine

Jervine is a member of piperidines.

CAS Number469-59-0
PubChem CID10098
IUPAC Name(3S,3'R,3'aS,6'S,6aS,6bS,7'aR,9R,11aS,11bR)-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridine]-11-one
Molecular FormulaC27H39NO3
Molecular Weight425.6
XLogP2.9
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count31
Formal Charge0
Complexity876
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]5C(=O)C4=C3C)C)O)C)NC1
InChI
InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16+,18-,19-,20-,21+,23+,24-,26-,27-/m0/s1
InChIKey
CLEXYFLHGFJONT-DNMILWOZSA-N
Chemical Structure
2D Structure
2D structure of Jervine
CAS: 469-59-0
CID: 10098
Formula: C27H39NO3
MW: 425.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.6
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass425.29299411
Monoisotopic Mass425.29299411
Topological Polar Surface Area58.6 Ų
Heavy Atom Count31
Formal Charge0
Complexity876
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
A8656-10Jervine

Popular Products