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1226781-44-7,MFCD22573261
Catalog No.:AA0017JR

1226781-44-7 | Omarigliptin

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$82.00   $57.00
- +
100mg
98%
in stock  
$132.00   $93.00
- +
250mg
98%
in stock  
$262.00   $184.00
- +
1g
98%
in stock  
$643.00   $450.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0017JR
Chemical Name:
Omarigliptin
CAS Number:
1226781-44-7
Molecular Formula:
C17H20F2N4O3S
Molecular Weight:
398.4275
MDL Number:
MFCD22573261
SMILES:
Fc1ccc(c(c1)[C@H]1OC[C@@H](C[C@@H]1N)N1Cc2c(C1)cn(n2)S(=O)(=O)C)F
Properties
Computed Properties
 
Complexity:
649  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
0.3  

Downstream Synthesis Route

[1]Biftu,Tesfaye;Sinha-Roy,Ranabir;Chen,Ping;Qian,Xiaoxia;Feng,Dennis;Kuethe,JeffreyT.;Scapin,Giovanna;Gao,YingDuo;Yan,Youwei;Krueger,Davida;Bak,Annette;Eiermann,George;He,Jiafang;Cox,Jason;Hicks,Jacqueline;Lyons,Kathy;He,Huaibing;Salituro,Gino;Tong,Sharon;Patel,Sangita;Doss,George;Petrov,Aleksandr;Wu,Joseph;Xu,ShiyaoSherrie;Sewall,Charles;Zhang,Xiaoping;Zhang,Bei;Thornberry,NancyA.;Weber,AnnE.[JournalofMedicinalChemistry,2014,vol.57,#8,p.3205-3212]

[2]CurrentPatentAssignee:SUNPHARMACEUTICALINDUSTRIESLIMITED-WO2017/81590,2017,A1Locationinpatent:Page/Pagecolumn13;28

[3]CurrentPatentAssignee:SICHUANCHECOPHARMACEUTICALTECH-CN111793071,2020,ALocationinpatent:Paragraph0045-0046;0048-0049;0051-0052;0054-0055;0057

[4]CurrentPatentAssignee:SHANGHAIBOCIMEDPHARMACEUTICALCOLTD-CN106674227,2017,ALocationinpatent:Paragraph0072;0073

[5]CurrentPatentAssignee:MERCK&COINC-US2010/120863,2010,A1Locationinpatent:Page/Pagecolumn24

[6]Chung,JohnY.L.;Scott,JeremyP.;Anderson,Camille;Bishop,Brian;Bremeyer,Nadine;Cao,Yang;Chen,Qinghao;Dunn,Robert;Kassim,Amude;Lieberman,David;Moment,AaronJ.;Sheen,Faye;Zacuto,Michael[OrganicProcessResearchandDevelopment,2015,vol.19,#11,p.1760-1768]

[7]CurrentPatentAssignee:MERCK&COINC-US9181262,2015,B2Locationinpatent:Page/Pagecolumn14

[8]CurrentPatentAssignee:MERCK&COINC-US9181262,2015,B2Locationinpatent:Page/Pagecolumn14

[9]CurrentPatentAssignee:MERCK&COINC-WO2016/14324,2016,A1Locationinpatent:Page/Pagecolumn25-26

[10]CurrentPatentAssignee:HANGZHOUPUSHAIPHARMACEUTICALTECHNOLOGYCOLTD(unclear)-CN106928228,2017,ALocationinpatent:Paragraph0123;0124

[1]Patent:WO2013/3249,2013,A1

tert-butyl{(2R.3S,5R)-2-(2,5-difluorophenyl)-5-2-(methylsulfonyl)-2,6-dihydropyrrolo3,4-cpyrazol-5(4H)-yltetrahydro-2H-pyran-3-yl}carbamate 
  1226781-44-7 

[1]CurrentPatentAssignee:MERCK&COINC-WO2013/3249,2013,A1Locationinpatent:Page/Pagecolumn15;16

[1]Biftu,Tesfaye;Sinha-Roy,Ranabir;Chen,Ping;Qian,Xiaoxia;Feng,Dennis;Kuethe,JeffreyT.;Scapin,Giovanna;Gao,YingDuo;Yan,Youwei;Krueger,Davida;Bak,Annette;Eiermann,George;He,Jiafang;Cox,Jason;Hicks,Jacqueline;Lyons,Kathy;He,Huaibing;Salituro,Gino;Tong,Sharon;Patel,Sangita;Doss,George;Petrov,Aleksandr;Wu,Joseph;Xu,ShiyaoSherrie;Sewall,Charles;Zhang,Xiaoping;Zhang,Bei;Thornberry,NancyA.;Weber,AnnE.[JournalofMedicinalChemistry,2014,vol.57,#8,p.3205-3212]

[1]Patent:CN107652291,2018,A.Locationinpatent:Paragraph0024;0042;0044;0045

[2]JournalofMedicinalChemistry,2014,vol.57,p.3205-3212

[3]OrganicProcessResearchandDevelopment,2015,vol.19,p.1760-1768

[4]Patent:US9181262,2015,B2

Literature

Title: Omarigliptin (MK-3102): a novel long-acting DPP-4 inhibitor for once-weekly treatment of type 2 diabetes.

Journal: Journal of medicinal chemistry 20140424

Title: Ayoub BM, et al. Repositioning of Omarigliptin as a once-weekly intranasal Anti-parkinsonian Agent. Sci Rep. 2018 Jun 12;8(1):8959.

Title: Li X, et al. Omarigliptin alleviates cognitive dysfunction in Streptozotocin-induced diabetic mouse. Bioengineered. 2022 Apr;13(4):9387-9396.

Title: Ayoub BM, et al. Repurposing of Omarigliptin as a Neuroprotective Agent Based on Docking with A2A Adenosine and AChE Receptors, Brain GLP-1 Response and Its Brain/Plasma Concentration Ratio after 28 Days Multiple Doses in Rats Using LC-MS/MS. Molecules. 2021 Feb 8;26(4):889.

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