| Identification | Back Directory | [Name]
3-(4-phenoxyphenyl)-1-(piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | [CAS]
2231747-18-3 | [Synonyms]
N-piperidine Ibrutinib HCl
N-piperidine Ibrutinib hydrochloride
3-(4-phenoxyphenyl)-1-(piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine | [Molecular Formula]
C22H23ClN6O | [MDL Number]
MFCD33029289 | [MOL File]
2231747-18-3.mol | [Molecular Weight]
422.92 |
| Chemical Properties | Back Directory | [storage temp. ]
-20°C, protect from light | [solubility ]
DMSO : 100 mg/mL (236.46 mM; Need ultrasonic) | [form ]
Solid | [color ]
White to off-white |
| Hazard Information | Back Directory | [Biological Activity]
N-piperidine Ibrutinib hydrochloride (Compound 1) is a reversible Ibrutinib derivative. N-piperidine Ibrutinib hydrochloride is a potent BTK inhibitor with IC50s of 51.0 and 30.7 nM for WT BTK and C481S BTK, respectively[1]. N-piperidine Ibrutinib hydrochloride can be used as a BTK ligand in the synthesis of a series of PROTACs, such as SJF620 . SJF620 is a potent PROTAC BTK degrader with a DC50 of 7.9 nM[2].
N-piperidine Ibrutinib hydrochloride can be used as a BTK ligand in the synthesis of a series of PROTACs. SJF638, SJF678, and SJF608 are potent PROTAC BTK degraders with DC50s of 374, 162, and 8.3 nM, respectively[2]. | [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. [2]. Jaime-Figueroa S, et al. Design, synthesis and biological evaluation of Proteolysis Targeting Chimeras (PROTACs) as a BTK degraders with improved pharmacokinetic properties. Bioorg Med Chem Lett. 2020 Feb 1;30(3):126877. |
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| Company Name: |
InvivoChem
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13549236410 |
| Website: |
https://www.invivochem.cn/ |
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