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Chemical structure of Ningetinib Tosylate

GC36744

Ningetinib Tosylate

Also known as N-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;4-methylbenzenesulfonic acid

Ningetinib Tosylate is a potent, orally bioavailable small molecule tyrosine kinase inhibitor (TKI) with IC50s of 6·7, 1·9 and ＜1·0 nM for c-Met, VEGFR2 and Axl, respectively

ChemicalCAS1394820-77-9MW728.79FormulaC38H37FN4O8S
CAS number
1394820-77-9
Molecular weight
728.79
Formula
C38H37FN4O8S
Solubility
DMSO： 33·33 mg/mL (45·73 mM); Water： ＜ 0·1 mg/mL (insoluble)
InChIKey
NAUYISNCVNUUDK-UHFFFAOYSA-N
Catalogue number
GC36744
Brand
GLPBIO
Computed properties PubChem CID 73442844 · TPSA 167 Ų · H-bond donors 3 · H-bond acceptors 11
TPSA
167 Ų
H-bond donors
3
H-bond acceptors
11
Rotatable bonds
9
Heavy atoms
52

SMILES CC1=CC=C(C=C1)S(=O)(=O)O.CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)OC4=C5C=CC(=CC5=NC=C4)OCC(C)(C)O)F

Computed descriptors from PubChem (CID 73442844), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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