Sunitinib N-oxide

Base Information

• Chemical Name: Sunitinib N-oxide
• CAS No.: 356068-99-0
• Molecular Formula: C22H27FN4O3
• Molecular Weight: 414.5
• UNII: UZ2R9A2TLL
• ChEMBL ID: CHEMBL3542196
• Mol file: 356068-99-0.mol

Synonyms:Sunitinib N-oxide;356068-99-0;Sunitinib metabolite m2E;UZ2R9A2TLL;SU-012487;N,N-Diethyl-2-[[5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]amino]ethanamine oxide;1H-Pyrrole-3-carboxamide, N-(2-(diethyloxidoamino)ethyl)-5-((Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-;5-(5-Fluoro-2-oxo-1,2-dihydroindol-(3Z)-ylidenemethyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid (2-diethyl-N-oxoaminoethyl)amide;N-(2-(Diethyloxidoamino)ethyl)-5-((Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxamide;UNII-UZ2R9A2TLL;CHEMBL3542196;SCHEMBL13755274;CS-O-03542;1H-Pyrrole-3-carboxamide, N-[2-(diethyloxidoamino)ethyl]-5-[(Z)-(5-fluoro-1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl-

Chemical Property of Sunitinib N-oxide

Chemical Property:

• PKA: 11.69±0.20(Predicted)
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 414.20671890
• Heavy Atom Count: 30
• Complexity: 681

Purity/Quality:

99%+, ^*data from raw suppliers

SunitinibN-Oxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC[N+](CC)(CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)F)NC2=O)C)[O-]
• Isomeric SMILES: CC[N+](CC)(CCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C)[O-]
• Uses: Sunitinib N-Oxide, is a derivative of Sunitinib (S820000), a multi-kinase inhibitor targeting several receptor tyrosine kinases (RTK), used for the treatment of renal cell carcinoma (RCC) and imatinib-resistant gastrointestinal stromal tumor. It is a COVID19-related research product.