Smoothened agonist

Base Information

Chemical Name:Smoothened agonist
CAS No.:912545-86-9
Molecular Formula:C28H28ClN3OS
Molecular Weight:490.069
Hs Code.:2934999090
UNII:4XN97SZK4J
DSSTox Substance ID:DTXSID80415294
Nikkaji Number:J2.370.585K,J2.141.037C
Wikipedia:Smoothened_agonist
Wikidata:Q15410188
Pharos Ligand ID:9YZUPRGWMHC9
ChEMBL ID:CHEMBL2160033,CHEMBL1221983
Mol file:912545-86-9.mol

Synonyms:3-chloro-N-(4-(methylamino)cyclohexyl)-N-((3-(pyridin-4-yl)phenyl)methyl)-1-benzothiophene-2-carboxamide;SAG1.3;SAG 1.1;SAG compound;Smoothened Agonist (SAG)

Suppliers and Price of Smoothened agonist

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
SAG
96Tests
$ 729.00

Usbiological
SAG
1mg
$ 290.00

Usbiological
SAG
1mg
$ 418.00

TRC
SAG
1mg
$ 115.00

Tocris
SAG ≥98%(HPLC)
1
$ 167.00

Sigma-Aldrich
SAG dihydrochloride ≥98%(HPLC)
5 mg
$ 387.00

Medical Isotopes, Inc.
SAG
1 mg
$ 190.00

DC Chemicals
SmoothenedAgonist(SAG)freebase >98%
250 mg
$ 1300.00

Crysdot
SAG 98+%
25mg
$ 427.00

Crysdot
SAG 98+%
10mg
$ 252.00

Total 28 raw suppliers

Chemical Property of Smoothened agonist

Chemical Property:

Boiling Point:688.6±55.0 °C(Predicted)
PKA:10?+-.0.40(Predicted)
PSA：73.47000
Density:1.30±0.1 g/cm3(Predicted)
LogP:7.18060
Storage Temp.:-20°C Freezer
Sensitive.:Light Sensitive
Solubility.:Soluble in DMSO (up to 20 mg/ml), in DMF (up to 20 mg/ml) or in Ethanol (up to 20 mg/ml).
XLogP3:6.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:489.1641614
Heavy Atom Count:34
Complexity:666

Purity/Quality:

99% ^*data from raw suppliers

SAG ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CNC1CCC(CC1)N(CC2=CC(=CC=C2)C3=CC=NC=C3)C(=O)C4=C(C5=CC=CC=C5S4)Cl
Description SAG (912545-86-9) is a smoothened agonist which binds directly to SMO and can block SMO inhibition by cyclopamine (Cat.# 10-1082). The conformation of SMO is altered by SAG binding which results in the accumulation of SMO in cilia and activated gene transcription. It should be noted that SAG inhibits hedgehog signaling at concentrations greater than 1 μM (EC50?for SMO activation is ~ 3 nM).1
Uses A potent agonist of Hedgehog (Hh) signalling by activating the Smoothened (Smo) protein function. Studies identify novel properties of molecules displaying potential interest in the treatment of various cancers and brain diseases, and demonstrate that Smo is capable of signaling through G15. Smoothened agonist (SAG) dihydrochloride has been used as a sonic hedgehog (SHH) pathway agonist:to study its effects on mouse hippocampal cellsto determine its effects on the mitochondrial network in zebrafish embryoto study its effects on murine embryonic fibroblasts

Technology Process of Smoothened agonist

There total 1 articles about Smoothened agonist which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: