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330785-90-5

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330785-90-5 Structure

330785-90-5 Structure
IdentificationBack Directory
[Name]

3-(4-Phenoxyphenyl)-1-(4-piperidinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
[CAS]

330785-90-5
[Synonyms]

Ibrutinib Impurity 45
N-piperidine Ibrutinib
3-(4-Phenoxyphenyl)-1-(4-piperidinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 3-(4-phenoxyphenyl)-1-(4-piperidinyl)-
[Molecular Formula]

C22H22N6O
[MDL Number]

MFCD32173634
[MOL File]

330785-90-5.mol
[Molecular Weight]

386.45
Chemical PropertiesBack Directory
[Boiling point ]

626.3±55.0 °C(Predicted)
[density ]

1.39±0.1 g/cm3(Predicted)
[pka]

9.63±0.10(Predicted)
Hazard InformationBack Directory
[Uses]

BTK ligand 1 (compound 1) is a ligand targeting Bruton’s tyrosine kinase (Btk). BTK ligand 1 can combine with E3 ligase ligand (Ligand for E3 Ligase) through PROTAC Linker to form PROTAC. PROTACs targeting Btk can be used in the study of chronic lymphocytic leukemia (CLL) and other BK cell malignancies[1].
[References]

[1] Buhimschi AD, et al. Targeting the C481S Ibrutinib-Resistance Mutation in Bruton's Tyrosine Kinase Using PROTAC-Mediated Degradation. Biochemistry. 2018 Jul 3;57(26):3564-3575. DOI:10.1021/acs.biochem.8b00391
Spectrum DetailBack Directory
[Spectrum Detail]

3-(4-Phenoxyphenyl)-1-(4-piperidinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine(330785-90-5)1HNMR
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