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SAG (Smoothened Agonist)

CAT: 0957-S6384-10mM/1mLSize: 10 mM/1mLDry Ice: NoHazardous: No
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CAT#:0957-S6384-10mM/1mLSize:10 mM/1mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
912545-86-9
Target
Hedgehog/Smoothened
Applications
Stem Cells & Wnt
Smiles
CNC1CCC (CC1) N (CC2=CC (=CC=C2) C3=CC=NC=C3) C (=O) C4=C (Cl) C5=CC=CC=C5S4
Molecular Formula
C28H28ClN3OS
Additionnal Information
SAG (Smoothened Agonist) is a potent agonist of Smoothened (Smo) . Smoothened Agonist induces firefly luciferase expression in Shh-LIGHT2 cells with an EC50 of 3 nM.
Storage Conditions
3 years -20°C powder

Chemical Information

Sag1.3

3-chloro-N-[trans-4-(methylamino)cyclohexyl]-N-[3-(pyridin-4-yl)benzyl]-1-benzothiophene-2-carboxamide is a member of the class of 1-benzothiophenes that is 3-chloro-1-benzothiophene-2-carboxamide in which the amide nitrogen is substituted by trans-4-(methylamino)cyclohexyl and 3-(pyridin-4-yl)benzyl groups. A smoothened (Smo) receptor agonist that antagonizes cyclopamine action at the Smo receptor. Activates the Hedgehog signaling pathway in a Patched independent manner. It has a role as a SMO receptor agonist. It is a tertiary carboxamide, an organochlorine compound, a phenylpyridine, a member of 1-benzothiophenes, a secondary amino compound and a biaryl.

CAS Number912545-86-9
PubChem CID5284330
IUPAC Name3-chloro-N-[4-(methylamino)cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide
Molecular FormulaC28H28ClN3OS
Molecular Weight490.1
XLogP6.3
Topological Polar Surface Area73.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity666
SMILES
CNC1CCC(CC1)N(CC2=CC(=CC=C2)C3=CC=NC=C3)C(=O)C4=C(C5=CC=CC=C5S4)Cl
InChI
InChI=1S/C28H28ClN3OS/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
InChIKey
VFSUUTYAEQOIMW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sag1.3
CAS: 912545-86-9
CID: 5284330
Formula: C28H28ClN3OS
MW: 490.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight490.1
XLogP36.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass489.1641614
Monoisotopic Mass489.1641614
Topological Polar Surface Area73.5 Ų
Heavy Atom Count34
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 Count1
Compound Is CanonicalizedYes

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