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Chemical structure of Axitinib-d3

GC62185

Axitinib-d3

Also known as 2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]-N-(trideuteriomethyl)benzamide

Axitinib-d3 (AG-013736-d3) is deuterium labeled Axitinib· Axitinib is a multi-targeted tyrosine kinase inhibitor with IC50s of 0·1, 0·2, 0·1-0·3, 1·6 nM for VEGFR1, VEGFR2, VEGFR3 and PDGFRβ, respectively

ChemicalCAS1126623-89-9MW389.49FormulaC22H15D3N4OS
CAS number
1126623-89-9
Molecular weight
389.49
Formula
C22H15D3N4OS
InChIKey
RITAVMQDGBJQJZ-VOTVRPQJSA-N
Catalogue number
GC62185
Brand
GLPBIO
Computed properties PubChem CID 25213804 · XLogP 4.2 · TPSA 96 Ų · H-bond donors 2
XLogP
4.2
TPSA
96 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
28

SMILES [2H]C([2H])([2H])NC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4

Computed descriptors from PubChem (CID 25213804), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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