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C-Met-IN-16

CAT: 0804-HY-120908Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-120908Size:1 Each
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Description
C-Met-IN-16 is a c-Met inhibitor that can be used for cancer research[1].
CAS Number
1208248-23-0
UNSPSC
12352005
Target
C-Met/HGFR
Type
Reference compound
Related Pathways
Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/c-met-in-16.html
Solubility
10 mM in DMSO
Smiles
O=C(C1CC1)NC2=CN3N=C(C(F)(F)C4=NN=C5C=CC(C6=CN(C)N=C6)=CN54)C=CC3=N2
Molecular Formula
C21H17F2N9O
Molecular Weight
449.42
References & Citations
[1]Pamela Farrell, et al. COMBINATION OF A cMET INHIBITOR AND AN ANTIBODY TO HGF AND/OR cMET. Patent WO2012003338A1.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Met

Chemical Information

N-(6-(Difluoro(6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)imidazo[1,2-b]pyridazin-2-yl)cyclopropanecarboxamide
CAS Number1208248-23-0
PubChem CID56593558
IUPAC NameN-[6-[difluoro-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide
Molecular FormulaC21H17F2N9O
Molecular Weight449.4
XLogP1.7
Topological Polar Surface Area107
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity755
SMILES
CN1C=C(C=N1)C2=CN3C(=NN=C3C(C4=NN5C=C(N=C5C=C4)NC(=O)C6CC6)(F)F)C=C2
InChI
InChI=1S/C21H17F2N9O/c1-30-9-14(8-24-30)13-4-6-18-27-28-20(31(18)10-13)21(22,23)15-5-7-17-25-16(11-32(17)29-15)26-19(33)12-2-3-12/h4-12H,2-3H2,1H3,(H,26,33)
InChIKey
RLLSEIXUTRQGNA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(6-(Difluoro(6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)imidazo[1,2-b]pyridazin-2-yl)cyclopropanecarboxamide
CAS: 1208248-23-0
CID: 56593558
Formula: C21H17F2N9O
MW: 449.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight449.4
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass449.15241252
Monoisotopic Mass449.15241252
Topological Polar Surface Area107 Ų
Heavy Atom Count33
Formal Charge0
Complexity755
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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