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Axitinib (AG 013736)

CAT: 0607-A8370-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-A8370-50Size:50 mg
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Description
VEGFR1/ c-Kit inhibitor
CAS Number
319460-85-0
Product Name Alternative
N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
Sequence
AG 013736
Field of Research
Tyrosine Kinase VEGFR
Purity
0.9965
Solubility
insoluble in H2O; ≥19.3 mg/mL in DMSO; ≥3.52 mg/mL in EtOH
Smiles
CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)C=CC4=CC=CC=N4
Molecular Formula
C22H18N4OS
Molecular Weight
386.47
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Axitinib

Axitinib is an indazole substituted at position 3 by a 2-(pyridin-2-yl)vinyl group and at position 6 by a 2-(N-methylaminocarboxy)phenylsulfanyl group. Used for the treatment of advanced renal cell carcinoma after failure of a first line systemic treatment. It has a role as an antineoplastic agent, a tyrosine kinase inhibitor and a vascular endothelial growth factor receptor antagonist. It is a member of benzamides, a member of pyridines, an aryl sulfide and a member of indazoles.

CAS Number319460-85-0
PubChem CID6450551
IUPAC NameN-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
Molecular FormulaC22H18N4OS
Molecular Weight386.5
XLogP4.2
Topological Polar Surface Area96
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity557
SMILES
CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4
InChI
InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+
InChIKey
RITAVMQDGBJQJZ-FMIVXFBMSA-N
Chemical Structure
2D Structure
2D structure of Axitinib
CAS: 319460-85-0
CID: 6450551
Formula: C22H18N4OS
MW: 386.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.5
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass386.12013238
Monoisotopic Mass386.12013238
Topological Polar Surface Area96 Ų
Heavy Atom Count28
Formal Charge0
Complexity557
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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