Products 2227211-00-7

CAS 2227211-00-7 appears in our catalog under these names: AS-1763, 98%, AS-1763. Offered by: Chemat Brand, TargetMol, Chemat. Available pack sizes: on request, 1mg, 5mg, 10mg, 25mg, 50mg, 100mg.

AS-1763, 98%
Chemat Brand
  • size: on request
  • Variants: 1
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AS-1763
TargetMol, Chemat
  • size: 1mg, 5mg, 10mg, 25mg
  • Variants: 11
from 1418.00
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2-[3-[2-amino-6-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-(hydroxymethyl)phenyl]-6-cyclopropyl-8-fluoroisoquinolin-1-one (CAS 2227211-00-7) is a chemical compound with the molecular formula C33H31FN6O3 and a molecular weight of 578.6 g/mol. IUPAC name: 2-[3-[2-amino-6-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-(hydroxymethyl)phenyl]-6-cyclopropyl-8-fluoroisoquinolin-1-one. InChIKey: LJODJUIHONTDMR-UHFFFAOYSA-N.

Identity
Molecular formulaC33H31FN6O3
Molecular weight578.6 g/mol
IUPAC name2-[3-[2-amino-6-[1-(oxetan-3-yl)-3,6-dihydro-2H-pyridin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-2-(hydroxymethyl)phenyl]-6-cyclopropyl-8-fluoroisoquinolin-1-one
InChIKeyLJODJUIHONTDMR-UHFFFAOYSA-N
SMILESC1CC1C2=CC(=C3C(=C2)C=CN(C3=O)C4=CC=CC(=C4CO)C5=C6C=C(NC6=NC(=N5)N)C7=CCN(CC7)C8COC8)F

Computed by PubChem (NCBI)

Synonyms: Milrebrutinib, Docirbrutinib, docirbrutinib [INN], Docirbrutinib (USAN/INN), DOCIRBRUTINIB [USAN], orb1691114, inhibitor 13f [PMID: 34529443]