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| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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.
Information
S49076 is a novel, potent inhibitor ofMet (c-Met),AXL/MER, andFGFR1/2/3with IC50 values below 20 nmol/L.
Targets
Met (Cell-free assay); Mer (Cell-free assay); Axl (Cell-free assay); FGFR3 (Cell-free assay); FGFR2 (Cell-free assay) 16457,1 nM; 2 nM; 7 nM; 15 nM; 17 nM
In vitro
S49076 potently blocks cellular phosphorylation of MET, AXL, and FGFRs and inhibits downstream signaling in vitro and in vivo. In cell models, S49076 inhibits the proliferation of MET- and FGFR2-dependent gastric cancer cells, blocks MET-driven migration of lung carcinoma cells, and inhibits colony formation of hepatocarcinoma cells expressing FGFR1/2 and AXL. S49076 inhibits viability, motility, and three-dimensional colony formation of cancer cells expressing MET, AXL, or FGFRs.
In vivo
S49076 shows marked antitumor activity in MET- and FGFR-dependent tumor xenografts at well-tolerated doses. S49076 has high distribution to tumors, in which the half-life for the dose of 3.125 mg/kg is approximately 7 hours versus less than 2 hours in the blood. At doses of 6.25 mg/kg and higher, more than 50% inhibition of MET phosphorylation is retained at 16 hours. S49076 is also active in a bevacizumab-resistant model and totally inhibits the growth of colon carcinoma xenografts in association with bevacizumab.
Cell Research(from reference)
Cell lines:GTL-16 and SNU-16 cell lines
Incubation Time:96 h or 120 h
| ALogP | 1.882 |
|---|---|
| Conteggio HBD | 2 |
| Legame rotabile | 5 |
| Pubchem Sid | 528767011 |
|---|---|
| Sorrisi canonici | C1COCCN1CC2=CNC(=C2)C=C3C4=C(C=CC(=C4)CN5C(=O)CSC5=O)NC3=O |
| IUPAC Name | 3-[[(3Z)-3-[[4-(morpholin-4-ylmethyl)-1H-pyrrol-2-yl]methylidene]-2-oxo-1H-indol-5-yl]methyl]-1,3-thiazolidine-2,4-dione |
| InChIKey | AREYWCZYVPSHGS-NVMNQCDNSA-N |
| INCHI | 1S/C22H22N4O4S/c27-20-13-31-22(29)26(20)12-14-1-2-19-17(8-14)18(21(28)24-19)9-16-7-15(10-23-16)11-25-3-5-30-6-4-25/h1-2,7-10,23H,3-6,11-13H2,(H,24,28)/b18-9- |
| Isomeri SMILES | C1COCCN1CC2=CNC(=C2)/C=C\3/C4=C(C=CC(=C4)CN5C(=O)CSC5=O)NC3=O |
| PubChem CID | 49870909 |
| Peso molecolare | 438.5 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Classe | Indoles and derivatives |
| Subclass | Indolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolines |
| Alternative Parents | Aralkylamines Thiazolidinediones Benzenoids Substituted pyrroles Morpholines Dicarboximides Heteroaromatic compounds Amino acids and derivatives Trialkylamines Thiocarbamic acid derivatives Secondary carboxylic acid amides Lactams Dialkyl ethers Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dihydroindole - Aralkylamine - Thiazolidinedione - Morpholine - Oxazinane - Substituted pyrrole - Benzenoid - Dicarboximide - Heteroaromatic compound - Pyrrole - Thiazolidine - Amino acid or derivatives - Carboxamide group - Lactam - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Thiocarbamic acid derivative - Ether - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Amine - Aromatic heteropolycyclic compound |
| Descrizione | This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| DMSO (mg/mL) Solubilità massima | 87 |
|---|---|
| DMSO (mM) Solubilità massima | 198.4036488 |
| Acqua (mg/mL) Solubilità massima | <1 |
| Peso molecolare | 438.500 g/mol |
| XLogP3 | 1.000 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 438.136 Da |
| Monoisotopic Mass | 438.136 Da |
| Topological Polar Surface Area | 120.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 769.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |