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1030377-33-3,MFCD22377755
Catalog No.:AA00392M

1030377-33-3 | 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

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  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00392M
Chemical Name:
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
CAS Number:
1030377-33-3
Molecular Formula:
C23H23ClN6O2
Molecular Weight:
450.9207
MDL Number:
MFCD22377755
SMILES:
Cc1ccc(c(c1)C(=O)N1CCN(CC[C@H]1C)c1oc2c(n1)cc(cc2)Cl)n1nccn1
Properties
Computed Properties
 
Complexity:
664  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
6  
Rotatable Bond Count:
3  
XLogP3:
4.9  

Literature

Title: Suvorexant: a dual orexin receptor antagonist for the treatment of sleep onset and sleep maintenance insomnia.

Journal: The Annals of pharmacotherapy 20150401

Title: Suvorexant: something new for sleep?

Journal: Acta neuropsychiatrica 20150201

Title: Suvorexant: a novel therapy for the treatment of insomnia.

Journal: Journal of psychosocial nursing and mental health services 20141001

Title: Safety and efficacy of suvorexant during 1-year treatment of insomnia with subsequent abrupt treatment discontinuation: a phase 3 randomised, double-blind, placebo-controlled trial.

Journal: The Lancet. Neurology 20140501

Title: Dual orexin receptor antagonists - promising agents in the treatment of sleep disorders.

Journal: The international journal of neuropsychopharmacology 20140101

Title: The hypocretins/orexins: integrators of multiple physiological functions.

Journal: British journal of pharmacology 20140101

Title: Selective orexin receptor antagonists.

Journal: Bioorganic & medicinal chemistry letters 20130901

Title: New class of sleep drugs may offer a safer night's rest.

Journal: Nature medicine 20120706

Title: Reaction development and mechanistic study of a ruthenium catalyzed intramolecular asymmetric reductive amination en route to the dual Orexin inhibitor Suvorexant (MK-4305).

Journal: Journal of the American Chemical Society 20110601

Title: Promotion of sleep by suvorexant-a novel dual orexin receptor antagonist.

Journal: Journal of neurogenetics 20110301

Title: Orexin receptor antagonists: a new concept in CNS disorders?

Journal: ChemMedChem 20100802

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Tags:1030377-33-3 Molecular Formula|1030377-33-3 MDL|1030377-33-3 SMILES|1030377-33-3 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