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897369-18-5

897369-18-5 Structure

897369-18-5 Structure
IdentificationBack Directory
[Name]

(S)-6-(3-(tert-Butyl)-5-(3-(2,3-dichlorophenyl)ureido)-1H-pyrazol-1-yl)-1,2,3,4-tetrahydroisoq
[CAS]

897369-18-5
[Synonyms]

BCR-ABL-IN-2
BCR ABL IN 2,BCRABLIN2
(S)-6-(3-(tert-Butyl)-5-(3-(2,3-dichlorophenyl)ureido)-1H-pyrazol-1-yl)-1,2,3,4-tetrahydroisoq
3-Isoquinolinecarboxylic acid, 6-[5-[[[(2,3-dichlorophenyl)amino]carbonyl]amino]-3-(1,1-dimethylethyl)-1H-pyrazol-1-yl]-1,2,3,4-tetrahydro-, (3S)-
[Molecular Formula]

C24H25Cl2N5O3
[MDL Number]

MFCD28004774
[MOL File]

897369-18-5.mol
[Molecular Weight]

502.39
Chemical PropertiesBack Directory
[storage temp. ]

Store at -20°C
[solubility ]

Soluble in DMSO
Hazard InformationBack Directory
[Uses]

BCR-ABL-IN-2 is an inhibitor of BCR-ABL1 tyrosine kinase, with IC50s of 57 nM, 773 nm for ABL1native and ABL1T315I, respectively.
[Definition]

ChEBI: DP-987 is a member of the class of phenylureas that is urea in which one of the nitrogens bears a 3-tert-butyl-1-[(3S)-3-carboxy-1,2,3,4-tetrahydroisoquinolin-6-yl]-1H-pyrazol-5-yl substituent, while the other bears a 2,3-dichlorophenyl group. It is a member of pyrazoles, a member of isoquinolines, a non-proteinogenic L-alpha-amino acid, a dichlorobenzene and a member of phenylureas.
[storage]

Store at -20°C
[References]

[1] Chan WW, et al. Conformational control inhibition of the BCR-ABL1 tyrosine kinase, including the gatekeeper T315I mutant, by the switch-control inhibitor DCC-2036. Cancer Cell. 2011 Apr 12;19(4):556-68. DOI:10.1016/j.ccr.2011.03.003
[2] ARYL SULFONOHYDRAZIDES. US 2008/0113967 A1.
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