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917879-39-1 | N-[(2R)-1,4-Dioxan-2-ylmethyl]-N-methyl-N'-[3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]sulfamide
CAS No: 917879-39-1 Catalog No: AG0039XN MDL No:MFCD11977739
Product Description
Catalog Number:
AG0039XN
Chemical Name:
N-[(2R)-1,4-Dioxan-2-ylmethyl]-N-methyl-N'-[3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]sulfamide
CAS Number:
917879-39-1
Molecular Formula:
C24H25N5O5S
Molecular Weight:
495.5508
MDL Number:
MFCD11977739
IUPAC Name:
14-[[[(2R)-1,4-dioxan-2-yl]methyl-methylsulfamoyl]amino]-5-(1-methylpyrazol-4-yl)-2-oxo-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene
InChI:
InChI=1S/C24H25N5O5S/c1-28-13-18(12-26-28)17-9-22-23(25-11-17)6-4-16-3-5-19(10-21(16)24(22)30)27-35(31,32)29(2)14-20-15-33-7-8-34-20/h3-6,9-13,20,27H,7-8,14-15H2,1-2H3/t20-/m1/s1
InChI Key:
JGEBLDKNWBUGRZ-HXUWFJFHSA-N
SMILES:
Cn1ncc(c1)c1cnc2c(c1)c(=O)c1cc(ccc1cc2)NS(=O)(=O)N(C[C@@H]1COCCO1)C
UNII:
4200RD53XF
Properties
Complexity:
895
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
495.158g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
495.554g/mol
Monoisotopic Mass:
495.158g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Discovery of a 5H-benzo[4,5]cyclohepta[1,2-b]pyridin-5-one (MK-2461) inhibitor of c-Met kinase for the treatment of cancer. | Journal of medicinal chemistry 20110623 |
| Discovery, synthesis, and investigation of the antitumor activity of novel piperazinylpyrimidine derivatives. | European journal of medicinal chemistry 20110601 |
| MK-2461, a novel multitargeted kinase inhibitor, preferentially inhibits the activated c-Met receptor. | Cancer research 20100215 |
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