N-piperidine Ibrutinib (hydrochloride)

• 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)

• Clinical Information:

  No Development Reported

• CAS Number:

  2231747-18-3