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N-Desethyl Sunitinib-d5

CAT: 0804-HY-10873SSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-10873SSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
N-Desethyl Sunitinib-d5 is the deuterium labeled N-Desethyl Sunitinib. 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[1].
CAS Number
1217247-62-5
UNSPSC
12352005
Hazard Statement
H361, H373, H410
Target
Drug Metabolite; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Cancer
Purity
99.76
Solubility
10 mM in DMSO
Smiles
O=C(/C(C1=C2)=C/C3=C(C(C(NCCNC([2H])([2H])C([2H])([2H])[2H])=O)=C(N3)C)C)NC1=CC=C2F
Molecular Formula
C20H18D5FN4O2
Molecular Weight
375.45
Precautions
H361, H373, H410
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216. |[2]O'Farrell AM, et al. SU11248 is a novel FLT3 tyrosine kinase inhibitor with potent activity in vitro and in vivo. Blood. 2003 May 1;101 (9) :3597-605. Epub 2003 Jan 16.|[3]Mendel DB, et al. In vivo antitumor activity of SU11248, a novel tyrosine kinase inhibitor targeting vascular endothelial growth factor and platelet-derived growth factor receptors: determination of a pharmacokinetic/pharmacodynamic relationship. Clin Can|[4]Sun L, et al. Discovery of 5-[5-fluoro-2-oxo-1,2- dihydroindol- (3Z) -ylidenemethyl]-2,4- dimethyl-1H-pyrrole-3-carboxylic acid (2-diethylaminoethyl) amide, a novel tyrosine kinase inhibitor targeting vascular endothelial and platelet-derived growth factor r
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

N-Desethyl Sunitinib-d5
CAS Number1217247-62-5
PubChem CID46781133
IUPAC Name5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-N-[2-(1,1,2,2,2-pentadeuterioethylamino)ethyl]-1H-pyrrole-3-carboxamide
Molecular FormulaC20H23FN4O2
Molecular Weight375.5
XLogP1.8
Topological Polar Surface Area86
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity597
SMILES
[2H]C([2H])([2H])C([2H])([2H])NCCNC(=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-/i1D3,4D2
InChIKey
LIZNIAKSBJKPQC-WTRGBYKBSA-N
Chemical Structure
2D Structure
2D structure of N-Desethyl Sunitinib-d5
CAS: 1217247-62-5
CID: 46781133
Formula: C20H23FN4O2
MW: 375.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight375.5
XLogP31.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass375.21188788
Monoisotopic Mass375.21188788
Topological Polar Surface Area86 Ų
Heavy Atom Count27
Formal Charge0
Complexity597
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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