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Tie2 kinase-IN-1

CAS No.:
948557-43-5
Catalog Number:
AG01DBME
Molecular Formula:
C26H21N3O2S
Molecular Weight:
439.5288
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥95%
1 week
United States
$128
- +
5mg
≥95%
1 week
United States
$279
- +
10mg
≥95%
1 week
United States
$457
- +
Product Description
Catalog Number:
AG01DBME
Chemical Name:
Tie2 kinase-IN-1
CAS Number:
948557-43-5
Molecular Formula:
C26H21N3O2S
Molecular Weight:
439.5288
MDL Number:
MFCD14585804
IUPAC Name:
4-[4-(6-methoxynaphthalen-2-yl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine
InChI:
InChI=1S/C26H21N3O2S/c1-31-22-8-5-19-15-21(4-3-20(19)16-22)25-24(17-11-13-27-14-12-17)28-26(29-25)18-6-9-23(10-7-18)32(2)30/h3-16H,1-2H3,(H,28,29)
InChI Key:
SINQIEAULQKUPD-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)ccc(c2)c1[nH]c(nc1c1ccncc1)c1ccc(cc1)S(=O)C
Properties
Complexity:
635  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.135g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
439.533g/mol
Monoisotopic Mass:
439.135g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
87.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Literature
Title Journal
Efficacy of Tie2 receptor antagonism in angiosarcoma. Neoplasia (New York, N.Y.) 20120201
Optimization of triarylimidazoles for Tie2: influence of conformation on potency. Bioorganic & medicinal chemistry letters 20071015
Pyridinylimidazole inhibitors of Tie2 kinase. Bioorganic & medicinal chemistry letters 20070901
Properties