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Sunitinib

CAT: 0127-BUP17388-05Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-BUP17388-05Size:1 g
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CAS Number
557795-19-4
Synonyms
SU 11248
Purity
=98%
Smiles
C(=C\1/C=2C(NC1=O)=CC=C(F)C2)\C3=C(C)C(C(NCCN(CC)CC)=O)=C(C)N3

Chemical Information

Sunitinib

Sunitinib is a member of pyrroles and a monocarboxylic acid amide. It has a role as an antineoplastic agent, an angiogenesis inhibitor, an immunomodulator, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor, a neuroprotective agent and a vascular endothelial growth factor receptor antagonist. It is functionally related to a 3-methyleneoxindole.

CAS Number557795-19-4
PubChem CID5329102
IUPAC NameN-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
Molecular FormulaC22H27FN4O2
Molecular Weight398.5
XLogP2.6
Topological Polar Surface Area77.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity636
SMILES
CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C
InChI
InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
InChIKey
WINHZLLDWRZWRT-ATVHPVEESA-N
Chemical Structure
2D Structure
2D structure of Sunitinib
CAS: 557795-19-4
CID: 5329102
Formula: C22H27FN4O2
MW: 398.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.5
XLogP32.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass398.21180428
Monoisotopic Mass398.21180428
Topological Polar Surface Area77.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity636
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

Alternative Products

CatalogName
B1045-500Sunitinib
A8255-2000Sunitinib malate
CS-O-10804Sunitinib-d4

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