Home Pyridines 1207253-08-4
1207253-08-4,MFCD28502027
Catalog No.:AA003A05

1207253-08-4 | 5''-Chloro-N-[(5,6-dimethoxypyridin-2-yl)methyl]-2,2':5',3''-terpyridine-3'-carboxamide

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5mg
97%
in stock  
$53.00   $37.00
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10mg
97%
in stock  
$78.00   $55.00
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25mg
97%
in stock  
$133.00   $93.00
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50mg
97%
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$211.00   $148.00
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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:
AA003A05
Chemical Name:
5''-Chloro-N-[(5,6-dimethoxypyridin-2-yl)methyl]-2,2':5',3''-terpyridine-3'-carboxamide
CAS Number:
1207253-08-4
Molecular Formula:
C24H20ClN5O3
Molecular Weight:
461.9003
MDL Number:
MFCD28502027
SMILES:
COc1nc(CNC(=O)c2cc(cnc2c2ccccn2)c2cncc(c2)Cl)ccc1OC
Properties
Computed Properties
 
Complexity:
629  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
7  
XLogP3:
2.7  

Downstream Synthesis Route

[1]ChemMedChem,2014,vol.9,p.311-322

[2]BioorganicandMedicinalChemistryLetters,2016,vol.26,p.3694-3699

[1]ChemMedChem,2014,vol.9,p.311-322

[2]BioorganicandMedicinalChemistryLetters,2016,vol.26,p.3694-3699

[1]Roecker,AnthonyJ.;Mercer,SwatiP.;Schreier,JohnD.;Cox,ChristopherD.;Fraley,MarkE.;Steen,JustinT.;Lemaire,Wei;Bruno,JosephG.;Harrell,C.Meacham;Garson,SusanL.;Gotter,AnthonyL.;Fox,StevenV.;Stevens,Joanne;Tannenbaum,PamelaL.;Prueksaritanont,Thomayant;Cabalu,TamaraD.;Cui,Donghui;Stellabott,Joyce;Hartman,GeorgeD.;Young,StevenD.;Winrow,ChristopherJ.;Renger,JohnJ.;Coleman,PaulJ.[ChemMedChem,2014,vol.9,#2,p.311-322]

Literature

Title: Orexin 2 Receptor Antagonism is Sufficient to Promote NREM and REM Sleep from Mouse to Man.

Journal: Scientific reports 20160101

Title: Discovery of MK-3697: a selective orexin 2 receptor antagonist (2-SORA) for the treatment of insomnia.

Journal: Bioorganic & medicinal chemistry letters 20141015

Title: Discovery of 5''-chloro-N-[(5,6-dimethoxypyridin-2-yl)methyl]-2,2':5',3''-terpyridine-3'-carboxamide (MK-1064): a selective orexin 2 receptor antagonist (2-SORA) for the treatment of insomnia.

Journal: ChemMedChem 20140201

Title: Roecker AJ et al. Discovery of 5''-chloro-N-[(5,6-dimethoxypyridin-2-yl)methyl-2,2':5',3''-terpyridine-3'-carboxamide (MK-1064): a selective orexin 2 receptor antagonist (2-SORA) for the treatment of insomnia. ChemMedChem. 2014 Feb;9(2):311-22.

Title: Gotter AL et al. Orexin 2 Receptor Antagonism is Sufficient to Promote NREM and REM Sleep from Mouse to Man. Sci Rep. 2016 Jun 3;6:27147.

Title: Laura A Grafe, et al. Orexin 2 receptor regulation of the hypothalamic-pituitary-adrenal (HPA) response to acute and repeated stress. Neuroscience. 2017 Apr 21;348:313-323.

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SDS
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Tags:1207253-08-4 Molecular Formula|1207253-08-4 MDL|1207253-08-4 SMILES|1207253-08-4 5''-Chloro-N-[(5,6-dimethoxypyridin-2-yl)methyl]-2,2':5',3''-terpyridine-3'-carboxamide