2231747-18-3
Chemical Structure
N-piperidine Ibrutinib hydrochloride
- CAS No.: 2231747-18-3
- Formula:C22H23ClN6O
- Molecular Weight:422.91
IUPAC Name: 3-(4-phenoxyphenyl)-1-(piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine hydrochloride
InChIKey: ORBFZIXZKIUECG-UHFFFAOYSA-N
SMILES: NC1=C2C(N(C3CCNCC3)N=C2C4=CC=C(OC5=CC=CC=C5)C=C4)=NC=N1.[H]Cl
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 (HY-133137). SJF620 is a potent PROTAC BTK degrader with a DC50 of 7.9 nM[2].
| Cat. No. | Product Name | Purity | Description | Pricing | |||||||||||||||||||
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N-piperidine Ibrutinib hydrochloride | 98.06% | 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. 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. | ||||||||||||||||||||
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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. [Content Brief]
- [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. [Content Brief]
