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N-Desethyl Sunitinib

CAT: 0957-E7243-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-E7243-5mgSize:5 mg
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CAS Number
356068-97-8
Synonyms
SU-12662
Additionnal Information
N-Desethyl Sunitinib (SU-12662) is a metabolite of sunitinib. Sunitinib is a potent, ATP-competitive VEGFR, PDGFRβ and KIT inhibitor with Ki values of 2, 9, 17, 8 and 4 nM for VEGFR -1, -2, -3, PDGFRβ and KIT, respectively.
Storage Conditions
3 years-20°C powder 2 years-80°C in solvent

Chemical Information

N-Desethyl Sunitinib
CAS Number356068-97-8
PubChem CID10292573
IUPAC NameN-[2-(ethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
Molecular FormulaC20H23FN4O2
Molecular Weight370.4
XLogP1.8
Topological Polar Surface Area86
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity597
SMILES
CCNCCNC(=O)C1=C(NC(=C1C)/C=C\2/C3=C(C=CC(=C3)F)NC2=O)C
InChI
InChI=1S/C20H23FN4O2/c1-4-22-7-8-23-20(27)18-11(2)17(24-12(18)3)10-15-14-9-13(21)5-6-16(14)25-19(15)26/h5-6,9-10,22,24H,4,7-8H2,1-3H3,(H,23,27)(H,25,26)/b15-10-
InChIKey
LIZNIAKSBJKPQC-GDNBJRDFSA-N
Chemical Structure
2D Structure
2D structure of N-Desethyl Sunitinib
CAS: 356068-97-8
CID: 10292573
Formula: C20H23FN4O2
MW: 370.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight370.4
XLogP31.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass370.18050415
Monoisotopic Mass370.18050415
Topological Polar Surface Area86 Ų
Heavy Atom Count27
Formal Charge0
Complexity597
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