Name: Acalabrutinib Metabolite (M27) ACP-5862-[d4]
Brand: BOC Sciences
Rating: 5 (1 reviews)

General Information

Catalog: BLP-015186

Molecular Formula: C26H19D4N7O3

Molecular Weight: 485.54

Chemical Structure

Description	Acalabrutinib Metabolite (M27) ACP-5862-[d4] is a labelled metabolite of Acalabrutinib. Acalabrutinib, also known as ACP-196, is an orally available inhibitor of Bruton's tyrosine kinase (BTK) with potential antineoplastic activity. It inhibits the activity of BTK and prevents the activation of the B-cell antigen receptor (BCR) signaling pathway.
Synonyms	4-(8-Amino-3-(4-(but-2-ynamido)butanoyl)imidazo[1,5-a]pyrazin-1-yl)-N-(pyridin-2-yl-d4)benzamide; Acalabrutinib Metabolite (M27) ACP-5862-D4; ACP-5862-d4; 4-[8-Amino-3-[1-oxo-4-[(1-oxo-2-butyn-1-yl)amino]butyl]imidazo[1,5-a]pyrazin-1-yl]-N-2-pyridinylbenzamide-d4
IUPAC Name	4-[8-amino-3-[4-(but-2-ynoylamino)butanoyl]imidazo[1,5-a]pyrazin-1-yl]-N-(3,4,5,6-tetradeuteriopyridin-2-yl)benzamide
Related CAS	2230757-47-6 (unlabelled)
Canonical SMILES	[2H]C1=C(C(=NC(=C1[2H])NC(=O)C2=CC=C(C=C2)C3=C4C(=NC=CN4C(=N3)C(=O)CCCNC(=O)C#CC)N)[2H])[2H]
InChI	InChI=1S/C26H23N7O3/c1-2-6-21(35)29-14-5-7-19(34)25-32-22(23-24(27)30-15-16-33(23)25)17-9-11-18(12-10-17)26(36)31-20-8-3-4-13-28-20/h3-4,8-13,15-16H,5,7,14H2,1H3,(H2,27,30)(H,29,35)(H,28,31,36)/i3D,4D,8D,13D
InChI Key	XZAATUBTUPPERZ-IMYOTQDBSA-N
Purity	>95%
Storage	Store at 2-8 °C