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2-MT-63

CAT: 0931-T68484-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T68484-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
870225-11-9
Target
Others, Tie-2
Related Pathways
Others, Tyrosine Kinase/Adaptors
Bioactivity
2-MT 63 is a novel TIE-2 kinase inhibitor that demonstrates unique and improved kinase selectivity compared to other inhibitors known to interact with TIE-2. 2-MT 63 has a good kinase selectivity profile in enzyme assays with >30-fold selectivity (typically much greater) against the tested kinases. Importantly, the profile includes selectivity against other targets of relevance for angiogenesis (KDR, PDGFR, EPHB4) .
Smiles
O(C1=C(C=CC=N1)C=2N=C(NC)N=CN2)C3=CC(C(NC4=C(N(CCCN(C)C)C)C=CC(C(F)(F)F)=C4)=O)=C(F)C=C3
Molecular Formula
C29H30F4N8O2
Molecular Weight
598.59
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(2-((3-(dimethylamino)propyl)(methyl)amino)-5-(trifluoromethyl)phenyl)-2-fluoro-5-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide

a Tie-2 kinase inhibitor; structure in first source

CAS Number870225-11-9
PubChem CID16109001
IUPAC NameN-[2-[3-(dimethylamino)propyl-methylamino]-5-(trifluoromethyl)phenyl]-2-fluoro-5-[[3-[4-(methylamino)-1,3,5-triazin-2-yl]-2-pyridinyl]oxy]benzamide
Molecular FormulaC29H30F4N8O2
Molecular Weight598.6
XLogP5.1
Topological Polar Surface Area108
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count11
Heavy Atom Count43
Formal Charge0
Complexity871
SMILES
CNC1=NC=NC(=N1)C2=C(N=CC=C2)OC3=CC(=C(C=C3)F)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)N(C)CCCN(C)C
InChI
InChI=1S/C29H30F4N8O2/c1-34-28-37-17-36-25(39-28)20-7-5-12-35-27(20)43-19-9-10-22(30)21(16-19)26(42)38-23-15-18(29(31,32)33)8-11-24(23)41(4)14-6-13-40(2)3/h5,7-12,15-17H,6,13-14H2,1-4H3,(H,38,42)(H,34,36,37,39)
InChIKey
HHKGVQGXRGQBBA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-((3-(dimethylamino)propyl)(methyl)amino)-5-(trifluoromethyl)phenyl)-2-fluoro-5-(3-(4-(methylamino)-1,3,5-triazin-2-yl)pyridin-2-yloxy)benzamide
CAS: 870225-11-9
CID: 16109001
Formula: C29H30F4N8O2
MW: 598.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight598.6
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count11
Exact Mass598.24278488
Monoisotopic Mass598.24278488
Topological Polar Surface Area108 Ų
Heavy Atom Count43
Formal Charge0
Complexity871
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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