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1253286-90-6

1253286-90-6 Structure

1253286-90-6 Structure
IdentificationBack Directory
[Name]

Spiro[3H-indole-3,4'-piperidin]-2(1H)-one, 6-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1'-methyl-
[CAS]

1253286-90-6
[Synonyms]

SMUB
SMU-B
SMU B
Spiro[3H-indole-3,4'-piperidin]-2(1H)-one, 6-[6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1'-methyl-
[Molecular Formula]

C26H25Cl2FN4O2
[MOL File]

1253286-90-6.mol
[Molecular Weight]

515.41
Chemical PropertiesBack Directory
[Boiling point ]

662.7±55.0 °C(Predicted)
[density ]

1.44±0.1 g/cm3(Predicted)
[pka]

13.60±0.20(Predicted)
Hazard InformationBack Directory
[Description]

SMU-B is a highly selective, well-tolerated, and orally efficacious c-Met/ALK dual inhibitor.
[Uses]

SMU-B is the orally active inhibitor for ALK (IC50<0.5 nM), c-ros oncogene 1 (ROS1), c-MET (IC50=1.87 nM) and AXL (IC50=28.9 nM). SMU-B inhibits the proliferation of MKN45, H1993 and H441 with IC50s of 0.02 μM, 1.58 μM and 2.82 μM, respectively. SMU-B exhibits antitumor efficacy in mouse models[1][2].
[References]

[1] Tian Y, et al., Molecular Simulation Studies on the Binding Selectivity of Type-I Inhibitors in the Complexes with ROS1 versus ALK. J Chem Inf Model. 2017 Apr 24;57(4):977-987. DOI:10.1021/acs.jcim.7b00019
[2] Li J, et al., Aminopyridyl/Pyrazinyl Spiro[indoline-3,4'-piperidine]-2-ones As Highly Selective and Efficacious c-Met/ALK Inhibitors. ACS Med Chem Lett. 2013 Jul 12;4(8):806-10. DOI:10.1021/ml400203d
1253286-90-6 suppliers list
Company Name: TargetMol Chemicals Inc.
Tel: +1-781-999-5354; +17819995354 , +17819995354
Website: https://www.targetmol.com/
Company Name: TargetMol Chemicals Inc.
Tel: +17819995354 , +17819995354
Website:
Company Name: TargetMol Chemicals Inc.  
Tel: 15002134094
Website: https://www.targetmol.cn/
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