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SAG dihydrochloride

CAT: 0013-GTR19189039-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189039-02Size:5 mg
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Description
SAG dihydrochloride is a potent and selective Smoothened (Smo) receptor agonist (EC50 = 3 nM) that activates Hedgehog signaling. It is used in vitro and in vivo to study pathway mechanisms and counteract antagonists like cyclopamine in cancer and developmental biology research.
CAS Number
2702366-44-5
Product Name Alternative
Hedgehog, Smoothened, SAG Dihydrochloride, SAG dihydrochloride, SAG
Field of Research
Pharmacology & Drug Discovery, Stem Cell & Developmental Biology
Purity
99.57% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (3.55 mM) ; DMSO:15 mg/mL (26.64 mM)
Smiles
O=C (C1=C (C2=CC=CC=C2S1) Cl) N ([C@@H]3CC[C@H] (CC3) NC) CC4=CC (C5=CC=NC=C5) =CC=C4.Cl.Cl
Molecular Formula
C28H30Cl3N3OS
Molecular Weight
562.98
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

SAG dihydrochloride
CAS Number2702366-44-5
PubChem CID154884292
IUPAC Name3-chloro-N-[4-(methylamino)cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide;dihydrochloride
Molecular FormulaC28H30Cl3N3OS
Molecular Weight563.0
Topological Polar Surface Area73.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity666
SMILES
CNC1CCC(CC1)N(CC2=CC(=CC=C2)C3=CC=NC=C3)C(=O)C4=C(C5=CC=CC=C5S4)Cl.Cl.Cl
InChI
InChI=1S/C28H28ClN3OS.2ClH/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
InChIKey
SWBYSYANHQTINY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SAG dihydrochloride
CAS: 2702366-44-5
CID: 154884292
Formula: C28H30Cl3N3OS
MW: 563.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight563.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass561.117517
Monoisotopic Mass561.117517
Topological Polar Surface Area73.5 Ų
Heavy Atom Count36
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 Count3
Compound Is CanonicalizedYes

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