ACP-5862

ACP-5862 is a major active, circulating, pyrrolidine ring-opened metabolite of Acalabrutinib with an IC50 of 5.0 nM for Bruton tyrosine kinase (BTK) . ACP‐5862 is a weak time‐dependent inactivator of CYP3A4 and CYP2C8. Acalabrutinib is an orally active, irreversible, and highly selective BTK inhibitor, with an IC50 of 3 nM and EC50 of 8 nM[1][2].

Product Specifications

CAS Number

[2230757-47-6]

UNSPSC

12352005

Target

Btk; Cytochrome P450; Drug Metabolite

Type

Reference compound

Related Pathways

Metabolic Enzyme/Protease; Protein Tyrosine Kinase/RTK

Applications

Cancer-Kinase/protease

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/acp-5862.html

Concentration

10mM

Purity

98.32

Solubility

DMSO : 250 mg/mL (ultrasonic)

Smiles

O=C(NC1=NC=CC=C1)C2=CC=C(C3=C4C(N)=NC=CN4C(C(CCCNC(C#CC)=O)=O)=N3)C=C2

Molecular Formula

C26H23N7O3

Molecular Weight

481.51

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]Diansong Zhou, et al. Evaluation of the Drug-Drug Interaction Potential of Acalabrutinib and Its Active Metabolite, ACP-5862, Using a Physiologically-Based Pharmacokinetic Modeling Approach. CPT Pharmacometrics Syst Pharmacol. 2019 Jul;8 (7) :489-499.