Mk-2461
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
Molecular Identity
Mk-2461
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
PubChem CID: 44137946
MK-2461 is a member of the class of benzocycloheptapyridines that is 5H-benzo[4,5]cyclohepta[1,2-b]pyridin-5-one substituted by 1-methyl-1H-pyrazol-4-yl and [{[(2R)-1,4-dioxan-2-yl]methyl}(methyl)sulfamoyl]amino groups at positions 3 and 7, respectively. It is a novel ATP-competitive multi-targeted inhibitor of activated c-Met (IC50 = 2.5 nM). It has a role as an antineoplastic agent, an apoptosis inducer and a c-Met tyrosine kinase inhibitor. It is a member of pyrazoles, a member of dioxanes, a benzocycloheptapyridine and a member of sulfamides.
2D Structure
Properties
C24H25N5O5S
Molecular Formula
495.60
Molecular Weight
g/mol
495.1576
Exact Mass
Da
1.2
XLogP
Drug-like (Lipinski: < 5)
124
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
9
H-Bond Acceptors
895
Complexity
SMILES
Canonical SMILES
SMILES: CN1C=C(C=N1)C2=CC3=C(C=CC4=C(C3=O)C=C(C=C4)NS(=O)(=O)N(C)CC5COCCO5)N=C2Isomeric SMILES
SMILES: CN1C=C(C=N1)C2=CC3=C(C=CC4=C(C3=O)C=C(C=C4)NS(=O)(=O)N(C)C[C@@H]5COCCO5)N=C2Synonyms(20)
MK-2461917879-39-1MK 2461MK2461UNII-4200RD53XF4200RD53XF9-[[[(2R)-1,4-dioxan-2-yl]methyl-methylsulfamoyl]amino]-2-(1-methylpyrazol-4-yl)-11-oxobenzo[1,2]cyclohepta[2,4-b]pyridineSulfamide, 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, 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]-9-((((2R)-1,4-dioxan-2-yl)methyl-methylsulfamoyl)amino)-2-(1-methylpyrazol-4-yl)-11-oxobenzo(1,2)cyclohepta(2,4-b)pyridineRefChem:1591911196681-15-8n-((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]sulfamideN-[(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]sulfamide14-[[[(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
Data from PubChem (NCBI)
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