N-piperidine Ibrutinib (hydrochloride)
Product Specifications
UNSPSC 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].
Target Antigen
Btk; Ligands for Target Protein for PROTAC
Type
Reference compound
Related Pathways
PROTAC;Protein Tyrosine Kinase/RTK
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/n-piperidine-ibrutinib-hydrochloride.html
Purity
98.06
Solubility
DMSO : 100 mg/mL (ultrasonic)|H2O : 50 mg/mL (ultrasonic)
Smiles
NC1=C2C(N(C3CCNCC3)N=C2C4=CC=C(OC5=CC=CC=C5)C=C4)=NC=N1.[H]Cl
Molecular Weight
422.91
References & Citations
[1]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.|[2]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.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture and light)
Product Datasheet
http://file.medchemexpress.com/batch_PDF/HY-130983/N-piperidine-Ibrutinib-hydrochloride-DataSheet-MedChemExpress.pdf
Product MSDS
http://file.medchemexpress.com/batch_PDF/HY-130983/N-piperidine-Ibrutinib-hydrochloride-SDS-MedChemExpress.pdf
Clinical Information
No Development Reported
CAS Number
2231747-18-3
Available Sizes
Curated Selection
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