Products for Research Use Only

Pamufetinib mesylate

CAT: 1410-M33140-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M33140-01Size:2 mg
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Description
Pamufetinib mesylate (TAS-115 mesylate) is a potent vascular endothelial growth factor receptor (VEGFR) antagonist and hepatocyte growth factor receptor (c-Met) inhibitor used in the study of cancer and respiratory diseases.
CAS Number
1688673-09-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
614.67
Molecular Formula
C28H27FN4O7S2
Notes
Research use only, not for human use.
Receptor
VEGFR | c-Met/HGFR

Chemical Information

TAS-115 mesylate
CAS Number1688673-09-7
PubChem CID118130255
IUPAC Name4-[2-fluoro-4-[(2-phenylacetyl)carbamothioylamino]phenoxy]-7-methoxy-N-methylquinoline-6-carboxamide;methanesulfonic acid
Molecular FormulaC28H27FN4O7S2
Molecular Weight614.7
Topological Polar Surface Area196
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count42
Formal Charge0
Complexity891
SMILES
CNC(=O)C1=CC2=C(C=CN=C2C=C1OC)OC3=C(C=C(C=C3)NC(=S)NC(=O)CC4=CC=CC=C4)F.CS(=O)(=O)O
InChI
InChI=1S/C27H23FN4O4S.CH4O3S/c1-29-26(34)19-14-18-21(15-24(19)35-2)30-11-10-22(18)36-23-9-8-17(13-20(23)28)31-27(37)32-25(33)12-16-6-4-3-5-7-16;1-5(2,3)4/h3-11,13-15H,12H2,1-2H3,(H,29,34)(H2,31,32,33,37);1H3,(H,2,3,4)
InChIKey
NUYQWFCUOAVQAL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of TAS-115 mesylate
CAS: 1688673-09-7
CID: 118130255
Formula: C28H27FN4O7S2
MW: 614.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight614.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass614.13051972
Monoisotopic Mass614.13051972
Topological Polar Surface Area196 Ų
Heavy Atom Count42
Formal Charge0
Complexity891
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes