Home Other Building Blocks 1338225-97-0
1338225-97-0,MFCD22417167
Catalog No.:AA009CJK

1338225-97-0 | Doravirine

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Purity
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5mg
≥98%
in stock  
$116.00   $81.00
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10mg
≥98%
in stock  
$205.00   $143.00
- +
25mg
98%
in stock  
$259.00   $182.00
- +
100mg
98%
in stock  
$455.00   $319.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA009CJK
Chemical Name:
Doravirine
CAS Number:
1338225-97-0
Molecular Formula:
C17H11ClF3N5O3
Molecular Weight:
425.7491
MDL Number:
MFCD22417167
SMILES:
N#Cc1cc(cc(c1)Cl)Oc1c(=O)n(ccc1C(F)(F)F)Cc1n[nH]c(=O)n1C
Properties
Computed Properties
 
Complexity:
860  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
2.1  

Downstream Synthesis Route

[1]Campeau,Louis-Charles;Chen,Qinghao;Gauvreau,Danny;Girardin,Mélina;Belyk,Kevin;Maligres,Peter;Zhou,Guoyue;Gu,Chaozhan;Zhang,Wei;Tan,Lushi;O'Shea,PaulD.[OrganicProcessResearchandDevelopment,2016,vol.20,#8,p.1476-1481]

[2]CurrentPatentAssignee:MERCK&COINC-US2011/245296,2011,A1Locationinpatent:Page/Pagecolumn19

[3]Côté,Bernard;Burch,JasonD.;Asante-Appiah,Ernest;Bayly,Chris;Bédard,Leanne;Blouin,Marc;Campeau,Louis-Charles;Cauchon,Elizabeth;Chan,Manuel;Chefson,Amandine;Coulombe,Nathalie;Cromlish,Wanda;Debnath,Smita;Deschênes,Denis;Dupont-Gaudet,Kristina;Falgueyret,Jean-Pierre;Forget,Robert;Gagné,Sébastien;Gauvreau,Danny;Girardin,Melina;Guiral,Sébastien;Langlois,Eric;Li,ChunSing;Nguyen,Natalie;Papp,Rob;Plamondon,Serge;Roy,Amélie;Roy,Stéphanie;Seliniotakis,Ria;St-Onge,Miguel;Ouellet,Stéphane;Tawa,Paul;Truchon,Jean-François;Vacca,Joe;Wrona,Marc;Yan,Youwei;Ducharme,Yves[BioorganicandMedicinalChemistryLetters,2014,vol.24,#3,p.917-922]

[1]CurrentPatentAssignee:MERCK&COINC-US2011/245296,2011,A1

[2]Côté,Bernard;Burch,JasonD.;Asante-Appiah,Ernest;Bayly,Chris;Bédard,Leanne;Blouin,Marc;Campeau,Louis-Charles;Cauchon,Elizabeth;Chan,Manuel;Chefson,Amandine;Coulombe,Nathalie;Cromlish,Wanda;Debnath,Smita;Deschênes,Denis;Dupont-Gaudet,Kristina;Falgueyret,Jean-Pierre;Forget,Robert;Gagné,Sébastien;Gauvreau,Danny;Girardin,Melina;Guiral,Sébastien;Langlois,Eric;Li,ChunSing;Nguyen,Natalie;Papp,Rob;Plamondon,Serge;Roy,Amélie;Roy,Stéphanie;Seliniotakis,Ria;St-Onge,Miguel;Ouellet,Stéphane;Tawa,Paul;Truchon,Jean-François;Vacca,Joe;Wrona,Marc;Yan,Youwei;Ducharme,Yves[BioorganicandMedicinalChemistryLetters,2014,vol.24,#3,p.917-922]

[1]CurrentPatentAssignee:MERCK&COINC-US2011/245296,2011,A1

[2]Campeau,Louis-Charles;Chen,Qinghao;Gauvreau,Danny;Girardin,Mélina;Belyk,Kevin;Maligres,Peter;Zhou,Guoyue;Gu,Chaozhan;Zhang,Wei;Tan,Lushi;O'Shea,PaulD.[OrganicProcessResearchandDevelopment,2016,vol.20,#8,p.1476-1481]

[1]CurrentPatentAssignee:MERCK&COINC-US2011/245296,2011,A1

[2]Campeau,Louis-Charles;Chen,Qinghao;Gauvreau,Danny;Girardin,Mélina;Belyk,Kevin;Maligres,Peter;Zhou,Guoyue;Gu,Chaozhan;Zhang,Wei;Tan,Lushi;O'Shea,PaulD.[OrganicProcessResearchandDevelopment,2016,vol.20,#8,p.1476-1481]

[1]Patent:US2011/245296,2011,A1

[2]Patent:US2011/245296,2011,A1

[3]BioorganicandMedicinalChemistryLetters,2014,vol.24,p.917-922

Literature

Title: In vitro characterization of MK-1439, a novel HIV-1 nonnucleoside reverse transcriptase inhibitor.

Journal: Antimicrobial agents and chemotherapy 20140301

Title: Discovery of MK-1439, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses.

Journal: Bioorganic & medicinal chemistry letters 20140201

Title: Lai MT et al. In vitro characterization of MK-1439, a novel HIV-1 nonnucleoside reverse transcriptase inhibitor. Antimicrob Agents Chemother. 2014;58(3):1652-63.

Title: Anderson MS et al. Safety, tolerability and pharmacokinetics of doravirine, a novel HIV non-nucleoside reverse transcriptase inhibitor, after single and multiple doses in healthy subjects. Antivir Ther. 2015;20(4):397-405.

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