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SAG

CAT: 0013-GTR19235794-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19235794-01Size:1 mg
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Description
(Rac) -SAG is a potent and selective Smoothened (Smo) agonist (EC50 = 3 nM) that activates Hedgehog signaling. It is widely used in biochemical and cellular assays to study pathway mechanisms and has been applied in vivo to explore tissue regeneration and oncogenesis models.
CAS Number
364590-63-6
Product Name Alternative
Smoothened Agonist
Field of Research
Neuroscience
Purity
>98%
Bioactivity
Smoothened agonist
Form
Powder
Solubility
Soluble in DMSO (up to 20 mg/ml), in DMF (up to 20 mg/ml) or in Ethanol (up to 20 mg/ml) .
Smiles
N (C (=O) C1=C (Cl) C=2C (S1) =CC=CC2) (CC3=CC (=CC=C3) C=4C=CN=CC4) C5CCC (NC) CC5
Molecular Formula
C28H28ClN3OS
Molecular Weight
490.07
Storage Conditions
-20°C
Notes
For research use only.
Other Product Names
3-Chloro-N-[trans-4- (methylamino) cyclohexyl]-N-[[3- (4-pyridinyl) phenyl]methyl]-benzo[b]thiiophene-2-carboxamide dihydrochloride

Chemical Information

Smoothened Agonist, HCl
CAS Number364590-63-6
PubChem CID71433770
IUPAC Name3-chloro-N-[4-(methylamino)cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;hydrate;dihydrochloride
Molecular FormulaC28H32Cl3N3O2S
Molecular Weight581.0
Topological Polar Surface Area74.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count37
Formal Charge0
Complexity666
SMILES
CNC1CCC(CC1)N(CC2=CC(=CC=C2)C3=CC=NC=C3)C(=O)C4=C(C5=CC=CC=C5S4)Cl.O.Cl.Cl
InChI
InChI=1S/C28H28ClN3OS.2ClH.H2O/c1-30-22-9-11-23(12-10-22)32(28(33)27-26(29)24-7-2-3-8-25(24)34-27)18-19-5-4-6-21(17-19)20-13-15-31-16-14-20;;;/h2-8,13-17,22-23,30H,9-12,18H2,1H3;2*1H;1H2
InChIKey
IYXUQUYRWPGIQL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Smoothened Agonist, HCl
CAS: 364590-63-6
CID: 71433770
Formula: C28H32Cl3N3O2S
MW: 581.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight581.0
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass579.128082
Monoisotopic Mass579.128082
Topological Polar Surface Area74.5 Ų
Heavy Atom Count37
Formal Charge0
Complexity666
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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