Acalabrutinib M7 Metabolite

CAT No.

ALN-A078007

CAS No.

Mol. F.

C31H33N9O5S

Mol. Wt.

643.7

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Product Overview

Technical Data

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Product Overview

Chemical Name : S-((Z)-4-((S)-2-(8-amino-1-(4-(pyridin-2-ylcarbamoyl)phenyl)imidazo[1,5-a]pyrazin-3-yl)pyrrolidin-1-yl)-4-oxobut-2-en-2-yl)-D-cysteinylglycine

Smiles : O=C(O)CNC([C@H](N)CS/C(C)=C\C(N1[C@H](C2=NC(C3=CC=C(C(NC4=NC=CC=C4)=O)C=C3)=C5C(N)=NC=CN52)CCC1)=O)=O

Inchi : InChI=1S/C26H25N7O3/c1-16(34)15-21(35)32-13-4-5-19(32)25-31-22(23-24(27)29-12-14-33(23)25)17-7-9-18(10-8-17)26(36)30-20-6-2-3-11-28-20/h2-3,6-12,14,19H,4-5,13,15H2,1H3,(H2,27,29)(H,28,30,36)/t19-/m0/s1

Technical Data