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Acalabrutinib-[d4]

General Information
Catalog: BLP-003188
Molecular Formula: C26H19D4N7O2
Molecular Weight: 469.53
Chemical Structure
Acalabrutinib-[d4]
Catalog Number Size Price Stock Quantity
BLP-003188 5 mg $1099 In stock
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Description Acalabrutinib-[d4] is a labelled version 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 (S)-4-(8-amino-3-(1-(but-2-ynoyl)pyrrolidin-2-yl)imidazo[1,5-a]pyrazin-1-yl)-N-(pyridin-2-yl-d4)benzamide
IUPAC Name 4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(3,4,5,6-tetradeuteriopyridin-2-yl)benzamide
Related CAS 1420477-60-6 (unlabelled)
Canonical SMILES CC#CC(=O)N1CCCC1C2=NC(=C3N2C=CN=C3N)C4=CC=C(C=C4)C(=O)NC5=CC=CC=N5
InChI InChI=1S/C26H23N7O2/c1-2-6-21(34)32-15-5-7-19(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)26(35)30-20-8-3-4-13-28-20/h3-4,8-14,16,19H,5,7,15H2,1H3,(H2,27,29)(H,28,30,35)/t19-/m0/s1/i3D,4D,8D,13D
InChI Key WDENQIQQYWYTPO-FJSIYNKGSA-N
Purity > 98%

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