Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C22H22N4O4S |
| Molecular Weight | 438.499 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O=C1CSC(=O)N1CC2=CC3=C(NC(=O)\C3=C/C4=CC(CN5CCOCC5)=CN4)C=C2
InChI
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-
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: P08581 Gene ID: 4233.0 Gene Symbol: MET Target Organism: Homo sapiens (Human) |
1.0 nM [IC50] | ||
Target ID: P30530 Gene ID: 558.0 Gene Symbol: AXL Target Organism: Homo sapiens (Human) |
7.0 nM [IC50] | ||
Target ID: Q12866 Gene ID: 10461.0 Gene Symbol: MERTK Target Organism: Homo sapiens (Human) |
2.0 nM [IC50] | ||
Target ID: CHEMBL2095217 |
|||
Target ID: CHEMBL4895 |
7.0 nM [IC50] | ||
| 1.0 nM [IC50] | |||
| 18.0 nM [IC50] | |||
Target ID: CHEMBL4142 |
17.0 nM [IC50] | ||
Target ID: CHEMBL2742 |
15.0 nM [IC50] |
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S-49076(FREE BASE)
Created by
admin on Sat Dec 16 11:43:35 GMT 2023 , Edited by admin on Sat Dec 16 11:43:35 GMT 2023
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PRIMARY | MedKoo CAT NO: 206484, CAS NO: 1265965-22-7Description: S49076 is a novel, potent inhibitor of MET, AXL/MER, and FGFR1/2/3. S49076 potently blocked cellular phosphorylation of MET, AXL, and FGFRs and inhibited downstream signaling in vitro and in vivo. In cell models, S49076 inhibited the proliferation of MET- and FGFR2-dependent gastric cancer cells, blocked MET-driven migration of lung carcinoma cells, and inhibited colony formation of hepatocarcinoma cells expressing FGFR1/2 and AXL. In tumor xenograft models, a good pharmacokinetic/pharmacodynamic relationship for MET and FGFR2 inhibition following oral administration of S49076 was established and correlated well with impact on tumor growth. MET, AXL, and the FGFRs have all been implicated in resistance to VEGF/VEGFR inhibitors such as bevacizumab. A phase I study with S-49076 is currently underway in patients with advanced solid tumors. | ||
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1265965-22-7
Created by
admin on Sat Dec 16 11:43:35 GMT 2023 , Edited by admin on Sat Dec 16 11:43:35 GMT 2023
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65ZUU7MATU
Created by
admin on Sat Dec 16 11:43:35 GMT 2023 , Edited by admin on Sat Dec 16 11:43:35 GMT 2023
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300000042471
Created by
admin on Sat Dec 16 11:43:35 GMT 2023 , Edited by admin on Sat Dec 16 11:43:35 GMT 2023
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49870909
Created by
admin on Sat Dec 16 11:43:35 GMT 2023 , Edited by admin on Sat Dec 16 11:43:35 GMT 2023
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ACTIVE MOIETY
SALT/SOLVATE (PARENT)
