Sunitinib malateProduct ingredient for Sunitinib
- Name
- Sunitinib malate
- Drug Entry
- Sunitinib
Sunitinib is a small-molecule multi-targeted receptor tyrosine kinase (RTK) inhibitor. On January 26, 2006, the agent was formally approved by the US FDA for the indications of treating renal cell carcinoma (RCC) and imatinib-resistant gastrointestinal stromal tumor (GIST). For these purposes, sunitinib is generally available as an orally administered formulation. Sunitinib inhibits cellular signaling by targeting multiple RTKs. These include all platelet-derived growth factor receptors (PDGF-R) and vascular endothelial growth factor receptors (VEGF-R). Sunitinib also inhibits KIT (CD117), the RTK that drives the majority of GISTs. In addition, sunitinib inhibits other RTKs including RET, CSF-1R, and flt3.
- Accession Number
- DBSALT000166
- Structure
Structure for Sunitinib malate (DBSALT000166)
- Synonyms
- Sunitinib L-malate
- External IDs
- SU010398
- UNII
- LVX8N1UT73
- CAS Number
- 341031-54-7
- Weight
- Average: 532.5612
Monoisotopic: 532.233327635 - Chemical Formula
- C26H33FN4O7
- InChI Key
- LBWFXVZLPYTWQI-IPOVEDGCSA-N
- 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
- IUPAC Name
- (2S)-2-hydroxybutanedioic acid; N-[2-(diethylamino)ethyl]-5-{[(3Z)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-2,4-dimethyl-1H-pyrrole-3-carboxamide
- SMILES
- O[C@@H](CC(O)=O)C(O)=O.CCN(CC)CCNC(=O)C1=C(C)NC(\C=C2/C(=O)NC3=CC=C(F)C=C23)=C1C
- External Links
- PubChem Compound
- 6456015
- ChemSpider
- 4958254
- ChEMBL
- CHEMBL1567
- Wikipedia
- Sunitinib
- Predicted Properties
Property Value Source Water Solubility 0.0308 mg/mL ALOGPS logP 3.24 ALOGPS logP 2.93 Chemaxon logS -4.1 ALOGPS pKa (Strongest Acidic) 11.46 Chemaxon pKa (Strongest Basic) 9.04 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 77.23 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 116.27 m3·mol-1 Chemaxon Polarizability 44.97 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon