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688050-42-2

688050-42-2 Structure

688050-42-2 Structure
IdentificationBack Directory
[Name]

3-Isoxazolecarboxamide, N-[3-(aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]-5-(4-fluorophenyl)-
[CAS]

688050-42-2
[Synonyms]

WAY-328158
N-(3-Carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-5-(4-fluorophenyl)isoxazole-3-carboxamide
3-Isoxazolecarboxamide, N-[3-(aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]-5-(4-fluorophenyl)-
[Molecular Formula]

C19H16FN3O3S
[MOL File]

688050-42-2.mol
[Molecular Weight]

385.41
Chemical PropertiesBack Directory
[Boiling point ]

506.5±50.0 °C(Predicted)
[density ]

1.433±0.06 g/cm3(Predicted)
[form ]

Solid
[pka]

8.55±0.20(Predicted)
[color ]

White to off-white
Hazard InformationBack Directory
[Uses]

BCR-ABL-IN-7 (compound 4) is a WT and T315I mutant ABL kinases inhibitor. BCR-ABL-IN-7 effectively inhibits activities of WT and T315I mutant ABL kinases. BCR-ABL-IN-7 can be used for the research of chronic myeloid leukemia (CML) research[1].
[References]

[1] Cao R, et al. Discovery of 2-Acylaminothiophene-3-Carboxamides as Multitarget Inhibitors for BCR-ABL Kinase and Microtubules. J Chem Inf Model. 2015 Nov 23;55(11):2435-42. DOI:10.1021/acs.jcim.5b00540
Spectrum DetailBack Directory
[Spectrum Detail]

3-Isoxazolecarboxamide, N-[3-(aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]-5-(4-fluorophenyl)-(688050-42-2)1HNMR
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