| Identification | Back Directory | [Name]
Btk inhibitor 1 | [CAS]
1412418-47-3 | [Synonyms]
(Rac)-IBT6A
Btk inhibitor 1
BTK INHIBITOR 1 (IBRUTINIB ANALOG RACEMATE)
1H-Pyrazolo[3,4-d]pyrimidin-4-amine, 3-(4-phenoxyphenyl)-1-(3-piperidinyl)-
3-(4-phenoxyphenyl)-1-(piperidine-3-yl)-1H-pyrazolo[3,4-d]pyrimidine-4-amine | [Molecular Formula]
C22H22N6O | [MDL Number]
MFCD19443124 | [MOL File]
1412418-47-3.mol | [Molecular Weight]
386.45 |
| Chemical Properties | Back Directory | [Boiling point ]
626.3±55.0 °C(Predicted) | [density ]
1.39±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO : 50 mg/mL (129.38 mM; Need ultrasonic) | [form ]
Powder | [pka]
9.00±0.10(Predicted) | [color ]
White to off-white |
| Hazard Information | Back Directory | [Uses]
(Rac)-IBT6A is a racemate of IBT6A. IBT6A is an impurity of Ibrutinib. IBT6A can be used in synthesis of IBT6A Ibrutinib dimer and IBT6A adduct[1]. Ibrutinib is a selective, irreversible Btk inhibitor with an IC50 of 0.5 nM[2]. | [References]
[1] Somana Siva Prasad, et al. A QUALITY BY DESIGN APPROACH FOR DEVELOPMENT OF SIMPLE AND ROBUST REVERSED PHASE STABILITY INDICATING HPLC METHOD FOR ESTIMATION OF IBRUTINIB AND ITS IMPURITIES.
[2] Honigberg LA, et al. The Bruton tyrosine kinase inhibitor PCI-32765 blocks B-cell activation and is efficacious in models of autoimmune disease and B-cell malignancy. Proc Natl Acad Sci U S A. 2010 Jul 20;107(29):13075-80. DOI:10.1073/pnas.1004594107
[3] Liu N, et al. Direct and two-step bioorthogonal probes for Bruton's tyrosine kinase based on ibrutinib: a comparative study. Org Biomol Chem. 2015 May 14;13(18):5147-57. DOI:10.1039/c5ob00474h |
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