Suvorexant-d6

CAS: 1030377-33-3

Ref. TR-S870002

Product Information

• Name: Suvorexant-d6
• Synonyms: (R)-5-Chloro-2-(5-methyl-1,4-diazepan-1-yl)benzo[d]oxazole, 5-Chloro-2-[(5R)-5-methyl-4-[5-methyl-2-(2H-1,2,3-triazol-2-yl)benzoyl]-1,4-diazepan-1-yl]-1,3-benzoxazole, Belsomra, Methanone, [(7R)-4-(5-chloro-2-benzoxazolyl)hexahydro-7-methyl-1H-1,4-diazepin-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]-, Mk-4305, [(7R)-4-(5-Chloro-2-benzoxazolyl)hexahydro-7-methyl-1H-1,4-diazepin-1-yl][5-methyl-2-(2H-1,2,3-triazol-2-yl)phenyl]methanone, [(R)-4-(5-Chloro-benzooxazol-2-yl)-7-methyl-[1,4]diazepan-1-yl]-(5-methyl-2-[1,2,3]triazol-2-yl-phenyl)-methanone

Description

Applications Suvorexant-d6 is the labeled analog of Suvorexant (S870000), a dual (non-selective) orexin receptor antagonist in development by Merck & Co. for the treatment of insomnia. It works by turning off wakefulness rather than by inducing sleep. Users of higher doses had an increased rate of suicidal ideation.
References Cox, C., et al.: J. Med. Chem., 53, 5320 (2010); Baxter, C., et al.: Org. Process Res. Dev., 15, 367 (2011); Winrow, C., et al.: J. Neurogenet., 25, 52 (2011); Mieda, M., et al.: CNS Drugs, 27, 83 (2013); Osborne, R.: Nat. Rev. Drug Discov., 12, 492 (2013)

• Brand: TRC

Chemical properties

• Molecular weight: 456.96
• Formula: C₂₃H₁₇D₆ClN₆O₂
• Color/Form: Neat
• InChI: InChI=1S/C23H23ClN6O2/c1-15-3-5-20(30-25-8-9-26-30)18(13-15)22(31)29-12-11-28(10-7-16(29)2)23-27-19-14-17(24)4-6-21(19)32-23/h3-6,8-9,13-14,16H,7,10-12H2,1-2H3/i1D3,3D,5D,13D
• InChI key: InChIKey=GTZKCEBOBPLPHH-AMISWYLQSA-N
• SMILES: C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)O[C@]1(C(=O)SCF)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C