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Ningetinib

CAT: 1410-M22115-07Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1410-M22115-07Size:100 mg
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Description
Ningetinib (CT053PTSA) is an orally bioavailable tyrosine kinase inhibitor with IC50s of <1.0, 1.9 and 6.7 nM for Axl, VEGFR2, and c-Met, respectively.
CAS Number
1394820-69-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
556.58
Molecular Formula
C31H29FN4O5
Notes
Research use only, not for human use.
Receptor
C-Met| VEGFR2| AXL

Chemical Information

Ningetinib

Ningetinib is under investigation in clinical trial NCT03758287 (Ningetinib (CT053PTSA) Plus Gefitinib in Stage IIIB or IV NSCLC Patients With EGFR Mutation and T790M Negative).

CAS Number1394820-69-9
PubChem CID60165029
IUPAC NameN-[3-fluoro-4-[7-(2-hydroxy-2-methylpropoxy)quinolin-4-yl]oxyphenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
Molecular FormulaC31H29FN4O5
Molecular Weight556.6
XLogP4.8
Topological Polar Surface Area104
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count41
Formal Charge0
Complexity986
SMILES
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
InChI
InChI=1S/C31H29FN4O5/c1-19-28(30(38)36(35(19)4)21-8-6-5-7-9-21)29(37)34-20-10-13-27(24(32)16-20)41-26-14-15-33-25-17-22(11-12-23(25)26)40-18-31(2,3)39/h5-17,39H,18H2,1-4H3,(H,34,37)
InChIKey
VQYYQSZNRVQLIS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ningetinib
CAS: 1394820-69-9
CID: 60165029
Formula: C31H29FN4O5
MW: 556.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight556.6
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass556.21219820
Monoisotopic Mass556.21219820
Topological Polar Surface Area104 Ų
Heavy Atom Count41
Formal Charge0
Complexity986
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A17042-2Ningetinib 2mg

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