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380899-24-1,MFCD18251524
Catalog No.:AA003A04

380899-24-1 | Sb-649868

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1mg
≥98%
in stock  
$46.00   $32.00
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5mg
≥98%
in stock  
$199.00   $139.00
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10mg
≥98%
in stock  
$348.00   $243.00
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25mg
≥98%
in stock  
$762.00   $533.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003A04
Chemical Name:
Sb-649868
CAS Number:
380899-24-1
Molecular Formula:
C26H24FN3O3S
Molecular Weight:
477.5505
MDL Number:
MFCD18251524
SMILES:
Fc1ccc(cc1)c1sc(nc1C(=O)N1CCCC[C@H]1CNC(=O)c1cccc2c1cco2)C
Properties
Computed Properties
 
Complexity:
734  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
XLogP3:
5.2  

Downstream Synthesis Route

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2009/34133,2009,A1Locationinpatent:Page/Pagecolumn20

Literature

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

Journal: The international journal of neuropsychopharmacology 20140101

Title: Selective orexin receptor antagonists.

Journal: Bioorganic & medicinal chemistry letters 20130901

Title: Phase I studies on the safety, tolerability, pharmacokinetics and pharmacodynamics of SB-649868, a novel dual orexin receptor antagonist.

Journal: Journal of psychopharmacology (Oxford, England) 20120801

Title: Differential effects of a dual orexin receptor antagonist (SB-649868) and zolpidem on sleep initiation and consolidation, SWS, REM sleep, and EEG power spectra in a model of situational insomnia.

Journal: Neuropsychopharmacology : official publication of the American College of Neuropsychopharmacology 20120401

Title: Discovery process and pharmacological characterization of a novel dual orexin 1 and orexin 2 receptor antagonist useful for treatment of sleep disorders.

Journal: Bioorganic & medicinal chemistry letters 20110915

Title: Disposition and metabolism of [14C]SB-649868, an orexin 1 and 2 receptor antagonist, in humans.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20110201

Title: Di Fabio R, et al. Discovery process and pharmacological characterization of a novel dual orexin 1 and orexin 2receptor antagonist useful for treatment of sleep disorders. Bioorg Med Chem Lett. 2011 Sep 15;21(18):5562-7.

Title: Faedo S, et al. Functional and binding kinetic studies make a distinction between OX1 and OX2 orexin receptorantagonists. Eur J Pharmacol. 2012 Oct 5;692(1-3):1-9.

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