IBT6A (hydrochloride)

IBT6A hydrochloride is an impurity of Ibrutinib. IBT6A can be used in synthesis of IBT6A Ibrutinib dimer and IBT6A adduct[1]. Ibrutinib is a selective, irreversible Btk inhibitor with an IC50 of 0.5 nM[2].

Product Specifications

CAS Number

[1553977-42-6]

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/btk-inhibitor-1-r-enantiomer-hydrochloride.html

Purity

99.72

Solubility

DMSO : 100 mg/mL (ultrasonic)

Smiles

NC1=C2C(N([C@H]3CNCCC3)N=C2C4=CC=C(OC5=CC=CC=C5)C=C4)=NC=N1.Cl

Molecular Formula

C22H23ClN6O

Molecular Weight

422.91

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.|[3]Liu N, et al. Direct and two-step bioorthogonal probes for Bruton's tyrosine kinase based on ibrutinib: a comparative study. Org Biomol Chem. 2015 May 14;13 (18) :5147-57.