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Home Other Building Blocks 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

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 No.:
1030377-33-3
Catalog Number:
AG00395E
Molecular Formula:
C23H23ClN6O2
Molecular Weight:
450.9207
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Product Description
Catalog Number:
AG00395E
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
IUPAC Name:
[(7R)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
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/t16-/m1/s1
InChI Key:
JYTNQNCOQXFQPK-MRXNPFEDSA-N
SMILES:
Cc1ccc(c(c1)C(=O)N1CCN(CC[C@H]1C)c1oc2c(n1)cc(cc2)Cl)n1nccn1
UNII:
081L192FO9
Properties
Complexity:
664  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
450.157g/mol
Formal Charge:
0
Heavy Atom Count:
32  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
450.927g/mol
Monoisotopic Mass:
450.157g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
80.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Literature
Title Journal
Suvorexant: a dual orexin receptor antagonist for the treatment of sleep onset and sleep maintenance insomnia. The Annals of pharmacotherapy 20150401
Suvorexant: something new for sleep? Acta neuropsychiatrica 20150201
Suvorexant: a novel therapy for the treatment of insomnia. Journal of psychosocial nursing and mental health services 20141001
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. The Lancet. Neurology 20140501
Dual orexin receptor antagonists - promising agents in the treatment of sleep disorders. The international journal of neuropsychopharmacology 20140101
The hypocretins/orexins: integrators of multiple physiological functions. British journal of pharmacology 20140101
Selective orexin receptor antagonists. Bioorganic & medicinal chemistry letters 20130901
New class of sleep drugs may offer a safer night's rest. Nature medicine 20120706
Reaction development and mechanistic study of a ruthenium catalyzed intramolecular asymmetric reductive amination en route to the dual Orexin inhibitor Suvorexant (MK-4305). Journal of the American Chemical Society 20110601
Promotion of sleep by suvorexant-a novel dual orexin receptor antagonist. Journal of neurogenetics 20110301
Orexin receptor antagonists: a new concept in CNS disorders? ChemMedChem 20100802
Properties