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C-Met-IN-14

CAT: 0931-T73022-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T73022-01Size:25 mg
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CAS Number
2443380-34-3
Target
C-Met/HGFR, Apoptosis, FLT, Others, c-Kit
Related Pathways
Apoptosis, Angiogenesis, Tyrosine Kinase/Adaptors, Others
Bioactivity
C-Met-IN-14, a N-sulfonylamidine-based derivative, is a selective c-Met kinase inhibitor with an IC50 value of 2.89 nM. It exhibits anticancer properties by inhibiting c-Met phosphorylation and arresting the cell cycle at the G2/M phase. Additionally, c-Met-IN-14 promotes dose-dependent apoptosis in A549 cells.
Smiles
O(C=1C2=C(C=C(OCCCN3CCOCC3)C(OC)=C2)N=CC1)C4=C(F)C=C(N=C(NS(CC5=CC=C(Cl)C=C5)(=O)=O)CCOC)C=C4
Molecular Formula
C34H38ClFN4O7S
Molecular Weight
701.2
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 171975637
CAS Number2443380-34-3
PubChem CID171975637
IUPAC NameN'-[(4-chlorophenyl)methylsulfonyl]-N-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-methoxypropanimidamide
Molecular FormulaC34H38ClFN4O7S
Molecular Weight701.2
XLogP5.3
Topological Polar Surface Area129
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count16
Heavy Atom Count48
Formal Charge0
Complexity1090
SMILES
COCCC(=NS(=O)(=O)CC1=CC=C(C=C1)Cl)NC2=CC(=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OCCCN5CCOCC5)OC)F
InChI
InChI=1S/C34H38ClFN4O7S/c1-43-17-11-34(39-48(41,42)23-24-4-6-25(35)7-5-24)38-26-8-9-31(28(36)20-26)47-30-10-12-37-29-22-33(32(44-2)21-27(29)30)46-16-3-13-40-14-18-45-19-15-40/h4-10,12,20-22H,3,11,13-19,23H2,1-2H3,(H,38,39)
InChIKey
QCKKTDVCCCBGDD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 171975637
CAS: 2443380-34-3
CID: 171975637
Formula: C34H38ClFN4O7S
MW: 701.2
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight701.2
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count16
Exact Mass700.2133766
Monoisotopic Mass700.2133766
Topological Polar Surface Area129 Ų
Heavy Atom Count48
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes