Find Islatravir manufacturers, exporters & distributors on PharmaCompass

Islatravir

DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

DEVELOPMENTS

21 Drugs in Development

21 Drugs in Development

DIGITAL CONTENT

16 NEWS #PharmaBuzz

media
16 NEWS #PharmaBuzz

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

21DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: Islatravir, 865363-93-5, Mk-8591, Efda, Islatravir [usan], 2'-deoxy-4'-c-ethynyl-2-fluoroadenosine

Molecular Formula

C₁₂H₁₂FN₅O₃

Molecular Weight

293.25 g/mol

InChI Key

IKKXOSBHLYMWAE-QRPMWFLTSA-N

FDA UNII

QPQ082R25D

Islatravir is under investigation in clinical trial NCT04233216 (Doravirine/islatravir (DOR/ISL) in Heavily Treatment-experienced (HTE) Participants for Human Immunodeficiency Virus Type 1 (HIV-1) Infection (MK-8591A-019)).

1 2D Structure

Islatravir

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-ol

2.1.2 InChI

InChI=1S/C12H12FN5O3/c1-2-12(4-19)6(20)3-7(21-12)18-5-15-8-9(14)16-11(13)17-10(8)18/h1,5-7,19-20H,3-4H2,(H2,14,16,17)/t6-,7+,12+/m0/s1

2.1.3 InChI Key

IKKXOSBHLYMWAE-QRPMWFLTSA-N

2.1.4 Canonical SMILES

C#CC1(C(CC(O1)N2C=NC3=C(N=C(N=C32)F)N)O)CO

2.1.5 Isomeric SMILES

C#C[C@]1([C@H](C[C@@H](O1)N2C=NC3=C(N=C(N=C32)F)N)O)CO

2.2 Other Identifiers

2.2.1 UNII

QPQ082R25D

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2'-deoxy-4'-ethynyl-2-fluoroadenosine

2. Islatravir

3. Mk-8591

4. Mk8591

2.3.2 Depositor-Supplied Synonyms

1. Islatravir

2. 865363-93-5

3. Mk-8591

4. Efda

5. Islatravir [usan]

6. 2'-deoxy-4'-c-ethynyl-2-fluoroadenosine

7. (2r,3s,5r)-5-(6-amino-2-fluoro-9h-purin-9-yl)-2-ethynyl-2-(hydroxymethyl)tetrahydrofuran-3-ol

8. Qpq082r25d

9. Adenosine, 2'-deoxy-4'-c-ethynyl-2-fluoro-

10. Islatravir (usan)

11. E2fda

12. 2'-deoxy-4'-ethynyl-2-fluoroadenosine

13. (2r,3s,5r)-5-(6-amino-2-fluoro-purin-9-yl)-2-ethynyl-2-(hydroxymethyl)tetrahydrofuran-3-ol

14. 2f-eda

15. E2-fda

16. Islatravir [inn]

17. Islatravir Anhydrous

18. 4'ed2fa

19. Mk-8591 (islatravir)

20. Islatravir [who-dd]

21. Unii-qpq082r25d

22. Chembl517231

23. Schembl2528556

24. 4'-e-d2-fa

25. Dtxsid601046407

26. Mk8591

27. Nsc787789

28. Nsc-787789

29. (2r,3s,5r)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-ol

30. Hy-104012

31. Cs-0023675

32. A51131

33. D11432

34. A848914

35. 2'-deoxy-4'-c-ethynyl-2-fluoroadenosine;mk-8591

36. Q24977417

37. 9h-purin-6-amine, 9-(2-deoxy-4-c-ethynyl-.beta.-d-erythro-pentofuranosyl)-2-fluoro-

2.4 Create Date

2006-04-29

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₂FN₅O₃
Molecular Weight	293.25 g/mol
XLogP3	-0.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	293.09241742 g/mol
Monoisotopic Mass	293.09241742 g/mol
Topological Polar Surface Area	119 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	459
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Anti-Retroviral Agents

Agents used to treat RETROVIRIDAE INFECTIONS. (See all compounds classified as Anti-Retroviral Agents.)

Antiviral Agents

Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly. (See all compounds classified as Antiviral Agents.)

Enzyme Inhibitors

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

Nucleic Acid Synthesis Inhibitors

Compounds that inhibit cell production of DNA or RNA. (See all compounds classified as Nucleic Acid Synthesis Inhibitors.)

Reverse Transcriptase Inhibitors

Inhibitors of reverse transcriptase (RNA-DIRECTED DNA POLYMERASE), an enzyme that synthesizes DNA on an RNA template. (See all compounds classified as Reverse Transcriptase Inhibitors.)

Drugs in Development