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Home Other Building Blocks 1622848-92-3
1622848-92-3,MFCD30489467
Catalog No.:AA00AQVP

1622848-92-3 | (S)-3-Benzyl-N-(5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-1H-1,2,4-triazole-5-carboxamide

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Purity
Availability
Price(USD)
Quantity
  
1mg
99%
in stock  
$28.00   $20.00
- +
5mg
99%
in stock  
$72.00   $50.00
- +
25mg
99%
in stock  
$180.00   $126.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00AQVP
Chemical Name:
(S)-3-Benzyl-N-(5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-1H-1,2,4-triazole-5-carboxamide
CAS Number:
1622848-92-3
Molecular Formula:
C20H19N5O3
Molecular Weight:
377.3966
MDL Number:
MFCD30489467
SMILES:
O=C(c1[nH]nc(n1)Cc1ccccc1)N[C@H]1COc2c(N(C1=O)C)cccc2
Properties
Computed Properties
 
Complexity:
568  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
4  
XLogP3:
2.4  

Downstream Synthesis Route

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2014/125444,2014,A1Locationinpatent:Page/Pagecolumn131

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2014/125444,2014,A1

[2]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2018/7973,2018,A2

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2014/125444,2014,A1

[2]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2018/7973,2018,A2

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2014/125444,2014,A1

[2]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2018/7973,2018,A2

[1]Harris,PhilipA.;Berger,ScottB.;Jeong,JaeU.;Nagilla,Rakesh;Bandyopadhyay,Deepak;Campobasso,Nino;Capriotti,CarolA.;Cox,JulieA.;Dare,Lauren;Dong,Xiaoyang;Eidam,PatrickM.;Finger,JoshuaN.;Hoffman,SandraJ.;Kang,James;Kasparcova,Viera;King,BryanW.;Lehr,Ruth;Lan,Yunfeng;Leister,LaraK.;Lich,JohnD.;MacDonald,ThomasT.;Miller,NathanA.;Ouellette,MichaelT.;Pao,ChristinaS.;Rahman,Attiq;Reilly,MichaelA.;Rendina,AlanR.;Rivera,ElizabethJ.;Schaeffer,MichelleC.;Sehon,ClarkA.;Singhaus,RobertR.;Sun,HelenH.;Swift,BarbaraA.;Totoritis,RachelD.;Vossenkämper,Anna;Ward,Paris;Wisnoski,DavidD.;Zhang,Daohua;Marquis,RobertW.;Gough,PeterJ.;Bertin,John[JournalofMedicinalChemistry,2017,vol.60,#4,p.1247-1261]

Literature

Title: Discovery of a First-in-Class Receptor Interacting Protein 1 (RIP1) Kinase Specific Clinical Candidate (GSK2982772) for the Treatment of Inflammatory Diseases.

Journal: Journal of medicinal chemistry 20170223

Title: Harris PA, et al. Discovery of a First-in-Class Receptor Interacting Protein 1 (RIP1) Kinase Specific Clinical Candidate (GSK2982772) for the Treatment of Inflammatory Diseases. J Med Chem. 2017 Feb 23;60(4):1247-1261.

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Tags:1622848-92-3 Molecular Formula|1622848-92-3 MDL|1622848-92-3 SMILES|1622848-92-3 (S)-3-Benzyl-N-(5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-1H-1,2,4-triazole-5-carboxamide