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Sunitinib Malate

CAT: 0931-T0374-06Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-T0374-06Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
341031-54-7
Target
C-Kit, PDGFR, Apoptosis, VEGFR, FLT, Autophagy, Mitophagy, IRE1
Related Pathways
Apoptosis, Angiogenesis, Autophagy, Cell Cycle/Checkpoint, Tyrosine Kinase/Adaptors
Purity
0.9926
Bioactivity
Sunitinib Malate (Sunitinib) is an indolinone-based tyrosine kinase inhibitor. It blocks the tyrosine kinase activities of VEGFR2, PDGFRβ (IC50: 80/2 nM), and c-kit.
Smiles
O[C@@H](CC(O)=O)C(O)=O.CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Molecular Formula
C26H33FN4O7
Molecular Weight
532.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sunitinib Malate

Sunitinib malate is an organic molecular entity. It has a role as an antineoplastic agent and an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor. It contains a sunitinib.

CAS Number341031-54-7
PubChem CID6456015
IUPAC NameN-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide;(2S)-2-hydroxybutanedioic acid
Molecular FormulaC26H33FN4O7
Molecular Weight532.6
Topological Polar Surface Area172
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count38
Formal Charge0
Complexity765
SMILES
CCN(CC)CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C.C([C@@H](C(=O)O)O)C(=O)O
InChI
InChI=1S/C22H27FN4O2.C4H6O5/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;5-2(4(8)9)1-3(6)7/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28);2,5H,1H2,(H,6,7)(H,8,9)/b17-12-;/t;2-/m.0/s1
InChIKey
LBWFXVZLPYTWQI-IPOVEDGCSA-N
Chemical Structure
2D Structure
2D structure of Sunitinib Malate
CAS: 341031-54-7
CID: 6456015
Formula: C26H33FN4O7
MW: 532.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight532.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass532.23332757
Monoisotopic Mass532.23332757
Topological Polar Surface Area172 Ų
Heavy Atom Count38
Formal Charge0
Complexity765
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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