Details of the Drug

General Information of Drug (ID: DMT6IRI)

Drug Name

MK-8591

Synonyms

4'-Ethynyl-2-fluoro-2'-deoxyadenosine; UNII-QPQ082R25D; 4'-Ethynyl-2-Fluoro-2'-Deoxyadenosine; QPQ082R25D; 865363-93-5; 2'-deoxy-4'-C-ethynyl-2-fluoroadenosine; (2R,3S,5R)-5-(6-amino-2-fluoro-purin-9-yl)-2-ethynyl-2-(hydroxymethyl)tetrahydrofuran-3-ol; E2FdA; 2F-EdA; E2-FdA; AC1O5FTD; 4'Ed2FA; SCHEMBL2528556; CHEMBL517231; 4'-E-d2-FA; IKKXOSBHLYMWAE-QRPMWFLTSA-N; AKOS028113263; 4/'-Ethynyl-2-fluoro-2/'-deoxyadenosine; FT-0701326; Adenosine,2'-deoxy-4'-C-ethynyl-2-fluoro-; Adenosine, 2'-deoxy-4'-C-ethynyl-2-fluoro-; 9H-Purin-6-amine, 9-(2-deoxy-4-C-ethynyl-.

Indication

Disease Entry	ICD 11	Status	REF
Human immunodeficiency virus infection	1C62	Phase 3	[1]
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Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C12H12FN5O3
Canonical SMILES: C#CC1(C(CC(O1)N2C=NC3=C(N=C(N=C32)F)N)O)CO
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
InChIKey: IKKXOSBHLYMWAE-QRPMWFLTSA-N

Cross-matching ID

PubChem CID: 6483431
CAS Number: 865363-93-5
TTD ID: D0H1UK

References

1	ClinicalTrials.gov (NCT04776252) Open-label, Follow-up of Doravirine/Islatravir for Participants With Human Immunodeficiency Virus -1 (HIV-1) Infection (MK-8591A-033). U.S. National Institutes of Health.