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Sag

CAS No.:
912545-86-9
Catalog Number:
AG003AA8
Molecular Formula:
C28H28ClN3OS
Molecular Weight:
490.0594
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
99%
1 week
United States
$140
- +
5mg
99%
1 week
United States
$223
- +
10mg
99%
1 week
United States
$321
- +
25mg
99%
1 week
United States
$543
- +
50mg
99%
1 week
United States
$737
- +
Product Description
Catalog Number:
AG003AA8
Chemical Name:
Sag
CAS Number:
912545-86-9
Molecular Formula:
C28H28ClN3OS
Molecular Weight:
490.0594
MDL Number:
MFCD22581513
IUPAC Name:
3-chloro-N-[4-(methylamino)cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide
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
InChI Key:
VFSUUTYAEQOIMW-UHFFFAOYSA-N
SMILES:
CN[C@@H]1CC[C@H](CC1)N(C(=O)c1sc2c(c1Cl)cccc2)Cc1cccc(c1)c1ccncc1
Properties
Complexity:
666  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
489.164g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
490.062g/mol
Monoisotopic Mass:
489.164g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3  
Literature
Title Journal
Primary cilia mediate sonic hedgehog signaling to regulate neuronal-like differentiation of bone mesenchymal stem cells for resveratrol induction in vitro. Journal of neuroscience research 20140501
Response to inhibition of smoothened in diverse epithelial cancer cells that lack smoothened or patched 1 mutations. International journal of oncology 20121101
Paracrine Hedgehog increases the steroidogenic potential of prostate stromal cells in a Gli-dependent manner. The Prostate 20120601
A small-molecule smoothened agonist prevents glucocorticoid-induced neonatal cerebellar injury. Science translational medicine 20111019
Hedgehog signaling regulates size of the dorsal aortae and density of the plexus during avian vascular development. Developmental dynamics : an official publication of the American Association of Anatomists 20110601
APP-dependent up-regulation of Ptch1 underlies proliferation impairment of neural precursors in Down syndrome. Human molecular genetics 20110415
Modulators of the hedgehog signaling pathway. Bioorganic & medicinal chemistry 20100915
Evidence for allosteric interactions of antagonist binding to the smoothened receptor. The Journal of pharmacology and experimental therapeutics 20090601
Patched1 regulates hedgehog signaling at the primary cilium. Science (New York, N.Y.) 20070720
Purmorphamine activates the Hedgehog pathway by targeting Smoothened. Nature chemical biology 20060101
Activity-dependent internalization of smoothened mediated by beta-arrestin 2 and GRK2. Science (New York, N.Y.) 20041224
Properties