Home Cart Sign in  
Chemical Structure| 1338225-97-0 Chemical Structure| 1338225-97-0

Structure of Doravirine
CAS No.: 1338225-97-0

Chemical Structure| 1338225-97-0

*Storage: {[sel_prStorage]}

*Shipping: {[sel_prShipping]}

,{[proInfo.pro_purity]}

Doravirine is a non-nucleoside inhibitor of HIV-1 reverse transcriptase with potent activity against wild-type virus (95% inhibitory concentration 19 nM, 50% human serum).

Synonyms: MK-1439

4.5 *For Research Use Only !

{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]} Purity: {[proInfo.pro_purity]}

Change View

Size Price VIP Price

US Stock

Global Stock

In Stock
{[ item.pr_size ]} Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate,item.pr_is_large_size_no_price, item.vip_usd) ]}

US Stock: ship in 0-1 business day
Global Stock: ship in 5-7 days

  • {[ item.pr_size ]}

In Stock

- +

Please Login or Create an Account to: See VIP prices and availability

US Stock: ship in 0-1 business day
Global Stock: ship in 2 weeks

  • 1-2 Day Shipping
  • High Quality
  • Technical Support
Product Citations

Product Citations

Silva Franco, Lucas ; Rodrigues, Daniel Alencar ; Baumart, Gabriela Joras ; de Jesus, Bárbara da Silva Mascarenhas ; Gomes, Flávia Carvalho Alcantara ; Lima, Lídia Moreira , et al.

Abstract: kinases are key players in neurodegenerative diseases such as Alzheimer’s disease (AD), making them attractive therapeutic targets. In this study, we developed a pharmacophoric map of inhibitors and highlighted the key affinity sites in ROCK1/2 through molecular modeling. Virtual screening led to the identification of six approved drugs as inhibitors: (36), (37), (38), (39), (40), and (41). (36) (hROCK1 IC50 = 0.025 μM; hROCK2 IC50 = 0.007 μM) and (37) (hROCK1 IC50 = 0.019 μM; hROCK2 IC50 = 0.011 μM) showed the highest potency, while (39) displayed 15-fold selectivity for ROCK2 over ROCK1. Molecular dynamics revealed that (36) forms stable bidentate hydrogen bonds with the hinge region and has selectivity across the AGC kinase family. Biological assays confirmed ruxolitinib’s (36) safety in neuronal and glial cells and its ability to reduce C3 immunolabeling, a glial inflammation marker, in LPS-treated astrocytes. These findings not only highlight (36) as a promising candidate for AD but also provide a structural basis for designing novel dual JAK-ROCK inhibitors and pave the way for further in vitro and in vivo studies. Moreover, the validated pharmacophoric map for inhibition highlights the identification of an affinity pocket that can be useful for the design of new inhibitors.

Alternative Products

Product Details of Doravirine

CAS No. :1338225-97-0
Formula : C17H11ClF3N5O3
M.W : 425.75
SMILES Code : N#CC1=CC(OC2=C(C(F)(F)F)C=CN(CC(N3C)=NNC3=O)C2=O)=CC(Cl)=C1
Synonyms :
MK-1439
MDL No. :MFCD22417167
InChI Key :ZIAOVIPSKUPPQW-UHFFFAOYSA-N
Pubchem ID :58460047

Safety of Doravirine

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Isoform Comparison

Biological Activity

Clinical Trial:

NCT Number Conditions Phases Recruitment Completion Date Locations
NCT05761509 HIV Infections COMPLETED 2024-06-30 Service de maladies infectieus... More >>es et tropicales du CHU de Montpellier, Montpellier, 34295, France|Hopital Saint Antoine, Paris, 75012, France|Service de maladies infectieuses et tropicales de de l'h?pital La Pitié-Salpêtrière, Paris, 75013, France Less <<
NCT04495348 HIV-1-infection|Weight Gain COMPLETED 2023-06-05 University of Colorado Anschut... More >>z Medical Campus, Aurora, Colorado, 80045, United States|UTHealth, Houston, Texas, 77030, United States Less <<
NCT04900974 HIV Infections|Pregnancy Relat... More >>ed Less << PHASE1 RECRUITING 2025-07-25 University of North Carolina a... More >>t Chapel Hill, Chapel Hill, North Carolina, 27514, United States Less <<
NCT03894124 Human Immunodeficiency Virus PHASE1 COMPLETED 2019-08-06 Chelsea and Westminster Hospit... More >>al NHS Foundation Trust, London, SW10 9NH, United Kingdom Less <<
NCT05322083 Virus-HIV UNKNOWN 2025-01-24 -
NCT04334551 HIV Infections PHASE4 UNKNOWN 2022-10-01 Clinique Du Quartier Latin, Mo... More >>ntreal, Quebec, H2L 4E9, Canada|Clinique Du Quartier Latin, Montreal, Quebec, H2L 4E9, Canada|CHU Martinique, Fort-de-France, Fort De France, CS 90632, Martinique Less <<
NCT02641067 Renal Impairment PHASE1 COMPLETED 2016-05-25 -
NCT02089659 HIV-1 Infection PHASE1 COMPLETED 2014-05-12 -
NCT05202613 HIV UNKNOWN 2025-12-22 Department of Public Health an... More >>d Infectious Diseases, Rome, Italy/RM, 00185, Italy Less <<
NCT04689737 HIV-infected Participants With... More >> ESRD Undergoing Routine Hemodialysis Less << PHASE4 COMPLETED 2021-06-14 Germans Trias i Pujol Hospital... More >>, Badalona, Barcelona, 08916, Spain|Universitario Bellvitge Hospital, Hospitalet de Llobregat, Barcelona, 08907, Spain|Valle Hebron Hospital, Barcelona, 08035, Spain Less <<

Protocol

Bio Calculators
Preparing Stock Solutions 1mg 5mg 10mg

1 mM

5 mM

10 mM

2.35mL

0.47mL

0.23mL

11.74mL

2.35mL

1.17mL

23.49mL

4.70mL

2.35mL

References

 

Historical Records

Categories