2231747-18-3

2231747-18-3 structure

Name: N-piperidine Ibrutinib hydrochloride
Chemical Name: N-piperidine Ibrutinib hydrochloride
CAS Number: 2231747-18-3
Molecular Formula: C₂₂H₂₃ClN₆O
Molecular Weight: 422.91
Catalog: Signaling Pathways Protein Tyrosine Kinase/RTK Btk
Create Date: 2020-06-01 19:50:18
Modify Date: 2024-01-14 11:07:28
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 (HY-133137). SJF620 is a potent PROTAC BTK degrader with a DC50 of 7.9 nM[2].

Name	N-piperidine Ibrutinib hydrochloride

Description	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 (HY-133137). SJF620 is a potent PROTAC BTK degrader with a DC50 of 7.9 nM[2].
Related Catalog	Research Areas >> Cancer Signaling Pathways >> Protein Tyrosine Kinase/RTK >> Btk
Target	IC50: 51.0 nM (WT BTK), 30.7 nM (C481S BTK)[1]
In Vitro	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.

Molecular Formula	C₂₂H₂₃ClN₆O
Molecular Weight	422.91