Acalabrutinib

Acalabrutinib (ACP-196) is an orally active, irreversible, and highly selective second-generation BTK inhibitor. Acalabrutinib binds covalently to Cys481 in the ATP-binding pocket of BTK. Acalabrutinib demonstrates potent on-target effects and efficacy in mouse models of chronic lymphocytic leukemia (CLL) [1][2]. Acalabrutinib is a click chemistry reagent, itcontains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

Product Specifications

CAS Number

[1420477-60-6]

Product Name Alternative

Calquence; ACP-196

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/Acalabrutinib.html

Purity

99.88

Solubility

DMSO : 116.67 mg/mL (ultrasonic)

Smiles

O=C(NC1=NC=CC=C1)C2=CC=C(C3=C4C(N)=NC=CN4C([C@H]5N(C(C#CC)=O)CCC5)=N3)C=C2

Molecular Formula

C26H23N7O2

Molecular Weight

465.51

Precautions

H302, H315, H319, H335

References & Citations

[1]Herman SE, et al. The Bruton's tyrosine kinase (BTK) inhibitor acalabrutinib demonstrates potent on-target effects and efficacy in two mouse models of chronic lymphocytic leukemia. Clin Cancer Res. 2016 Nov 30|[2]Wu J, et al. Acalabrutinib (ACP-196) : a selective second-generation BTK inhibitor. J Hematol Oncol. 2016 Mar 9;9:21