≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Ningetinib Tosylate is a potent, orally bioavailable small molecule tyrosine kinase inhibitor ( TKI ) with IC 50 s of 6.7, 1.9 and <1.0 nM for c-Met , VEGFR2 and Axl , respectively.
In Vitro
Ningetinib Tosylate is a potent, orally bioavailable small molecule tyrosine kinase inhibitor (TKI) with IC 50 s of 6.7, 1.9 and <1.0 nM for c-Met, VEGFR2 and Axl, respectively. In cell-based functional assays, Ningetinib Tosylate (CT053PTSA) inhibits HGF and VEGF-stimulated HUVEC proliferation and microvascular angiogenesis in rat aortic rings with IC 50 values of 8.6 and 6.3 nM, respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
When single dosed orally (3 mg/kg) to U87MG tumor-bearing nude mice, Ningetinib Tosylate (CT053PTSA) potently inhibits the phosphorylation of c-Met and its downstream signaling kinases AKT and ERK1/2 for up to 6 hours in tumor tissues. In orthotopic U87MG human glioblastoma xenograft model, Ningetinib Tosylate prolongs the median survival time (MST) and yields significant increase in life-span value (ILS=32%, p=0.003) at an oral dose of 20 mg/kg/day (dosed 21 days) versus the vehicle-treated group . MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:VEGFR2 1.9 nM (IC 50 )
| Canonical 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 |
|---|---|
| IUPAC Name | 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 |
| InChIKey | NAUYISNCVNUUDK-UHFFFAOYSA-N |
| INCHI | 1S/C31H29FN4O5.C7H8O3S/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;1-6-2-4-7(5-3-6)11(8,9)10/h5-17,39H,18H2,1-4H3,(H,34,37);2-5H,1H3,(H,8,9,10) |
| Isomeric 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 |
| Alternate CAS | 1394820-77-9 |
| PubChem CID | 73442844 |
| Molecular Weight | 728.8 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aromatic anilides |
| Alternative Parents | p-Methylbenzenesulfonates Diarylethers Phenylpyrazoles Tosyl compounds Quinolines and derivatives 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Phenol ethers Pyrazole-4-carboxamides Phenoxy compounds Alkyl aryl ethers Fluorobenzenes Aryl fluorides Pyridines and derivatives Pyrazolones Heteroaromatic compounds Tertiary alcohols Sulfonyls Organosulfonic acids Vinylogous amides Lactams Secondary carboxylic acid amides Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Organonitrogen compounds |
| Molecular Framework | Not available |
| Substituents | Aromatic anilide - Diaryl ether - Phenylpyrazole - P-methylbenzenesulfonate - Quinoline - Benzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Phenoxy compound - Phenol ether - Pyrazole-4-carboxamide - Alkyl aryl ether - Fluorobenzene - Halobenzene - Toluene - Pyridine - Pyrazolinone - Aryl fluoride - Aryl halide - Tertiary alcohol - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Vinylogous amide - Heteroaromatic compound - Pyrazole - Azole - Secondary carboxylic acid amide - Carboxamide group - Lactam - Azacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organohalogen compound - Alcohol - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group. |
| External Descriptors | Not available |
| Solubility | DMSO : 33.33 mg/mL (45.73 mM; Need ultrasonic) H2O : <0.1 mg/mL (insoluble) |
|---|---|
| Molecular Weight | 728.800 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 9 |
| Exact Mass | 728.232 Da |
| Monoisotopic Mass | 728.232 Da |
| Topological Polar Surface Area | 167.000 Ų |
| Heavy Atom Count | 52 |
| Formal Charge | 0 |
| Complexity | 1190.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
