8-(1,4-Dioxa-8-azaspiro[4.5]dec-8-yl)-9-ethyl-6,11-dihydro-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile

CAS: 1256584-81-2

Ref. TR-D485310

Product Information

• Name: 8-(1,4-Dioxa-8-azaspiro[4.5]dec-8-yl)-9-ethyl-6,11-dihydro-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
• Synonyms: 8-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-9-ethyl-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile
• Brand: TRC
• Description: Applications 8-(1,4-Dioxa-8-azaspiro[4.5]dec-8-yl)-9-ethyl-6,11-dihydro-6,6-dimethyl-11-oxo-5H-benzo[b]carbazole-3-carbonitrile is an intermediate used in the synthesis of Alectinib M4 metabolite (A521150), which is the major active metabolite of Alectinib. Alectinib is an anaplastic lymphoma kinase (ALK) inhibitor and is used to treat non-​small-​cell lung cancer by blocking the activity of anaplastic lymphoma kinase (ALK).References Heinig, K., et al.: Bioanalysis, 8, 1465-79 (2016); Morcos, P.N., et al.: Xenobiotica, 47, 217-29 (2017)

Chemical properties

• Molecular weight: 455.548
• Formula: C₂₈H₂₉N₃O₃
• Color/Form: Neat
• InChI: InChI=1S/C28H29N3O3/c1-4-18-14-20-21(15-23(18)31-9-7-28(8-10-31)33-11-12-34-28)27(2,3)26-24(25(20)32)19-6-5-17(16-29)13-22(19)30-26/h5-6,13-15,30H,4,7-12H2,1-3H3
• SMILES: CCc1cc2c(cc1N1CCC3(CC1)OCCO3)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O