Ibrutinib dimer

Ibrutinib dimer is a Dimer of Ibrutinib. Ibrutinib dimer is an impurity of Ibrutinib[1]. Ibrutinib is a selective, irreversible Btk inhibitor with an IC50 of 0.5 nM[2].

Product Specifications

CAS Number

[2031255-23-7]

UNSPSC

12352005

Hazard Statement

H302-H315-H319-H335

Target

Btk

Type

Reference compound

Related Pathways

Protein Tyrosine Kinase/RTK

Applications

Cancer-Kinase/protease

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/ibrutinib-dimer.html

Solubility

10 mM in DMSO

Smiles

C=CC(N1C[C@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C5=C(NCCC(N6C[C@H](N7N=C(C8=CC=C(OC9=CC=CC=C9)C=C8)C%10=C(N)N=CN=C%107)CCC6)=O)N=CN=C52)CCC1)=O

Molecular Formula

C50H48N12O4

Molecular Weight

880.99

Precautions

P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

References & Citations

[1]Somana Siva Prasad, et al. A QUALITY BY DESIGN APPROACH FOR DEVELOPMENT OF SIMPLE AND ROBUST REVERSED PHASE STABILITY INDICATING HPLC METHOD FOR ESTIMATION OF IBRUTINIB AND ITS IMPURITIES.|[2]Honigberg LA, et al. The Bruton tyrosine kinase inhibitor PCI-32765 blocks B-cell activation and is efficacious in models of autoimmune disease and B-cell malignancy. Proc Natl Acad Sci U S A. 2010 Jul 20;107 (29) :13075-80.