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Also known as: Abx-464, Abx464, Obefazimod, 1258453-75-6, Spl-464, Obefazimod [usan]

Molecular Formula

C₁₆H₁₀ClF₃N₂O

Molecular Weight

338.71 g/mol

InChI Key

OZOGDCZJYVSUBR-UHFFFAOYSA-N

FDA UNII

26RU378B9V

Obefazimod is an orally available, small molecule binder of the cap binding complex (CBC) 80/20, with potential antiviral and anti-inflammatory activities. Upon oral administration, obefazimod binds to the CBC, a complex at the 5'-end of the pre-mRNA transcript that promotes the initial interaction with transcription and processing machinery. This leads to a conformational change in the CBC and enhanced splicing of viral RNA variants and upregulation of the anti-inflammatory microRNA, miR-124, via splicing of a long noncoding RNA at the miR-124-1 locus. In human immunodeficiency virus type 1 (HIV-1)-infected cells, obefazimod interacts with the CBC of HIV-1 mRNA and inhibits viral replication by preventing Rev-mediated export of unspliced HIV-1 transcripts to the cytoplasm. Rev facilitates the nuclear export of unspliced or incompletely spliced viral pre-mRNAs, an essential step in HIV-1 replication. In inflammatory conditions, miR-124 reduces the production of various inflammatory mediators, including interleukin 6 (IL-6), tumor necrosis factor alpha (TNF-alpha), and C-C motif chemokine 2 (CCL2; MCP-1.). miR-124 plays a critical role in innate and adaptive immune responses and is a critical mediator of cholinergic anti-inflammatory action.

1 2D Structure

ABX464

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

8-chloro-N-[4-(trifluoromethoxy)phenyl]quinolin-2-amine

2.1.2 InChI

InChI=1S/C16H10ClF3N2O/c17-13-3-1-2-10-4-9-14(22-15(10)13)21-11-5-7-12(8-6-11)23-16(18,19)20/h1-9H,(H,21,22)

2.1.3 InChI Key

OZOGDCZJYVSUBR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC2=C(C(=C1)Cl)N=C(C=C2)NC3=CC=C(C=C3)OC(F)(F)F

2.2 Other Identifiers

2.2.1 UNII

26RU378B9V

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Abx464

2.3.2 Depositor-Supplied Synonyms

1. Abx-464

2. Abx464

3. Obefazimod

4. 1258453-75-6

5. Spl-464

6. Obefazimod [usan]

7. 8-chloro-n-(4-(trifluoromethoxy)phenyl)quinolin-2-amine

8. 26ru378b9v

9. 2-quinolinamine, 8-chloro-n-(4-(trifluoromethoxy)phenyl)-

10. Obefazimod [inn]

11. Unii-26ru378b9v

12. Schembl1705888

13. Abx-464 [who-dd]

14. Chembl4297344

15. Gtpl11698

16. Ex-a3322

17. Who 12112

18. Db14828

19. Mmv1581032

20. Sb18690

21. Ac-35811

22. Bs-14770

23. Abx464(abx-464;abx 464)

24. Hy-100870

25. Cs-0020537

26. S0076

27. A16912

28. D84095

29. Q27896117

2.4 Create Date

2011-01-31

3 Chemical and Physical Properties

Molecular Formula	C₁₆H₁₀ClF₃N₂O
Molecular Weight	338.71 g/mol
XLogP3	5.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	338.0433751 g/mol
Monoisotopic Mass	338.0433751 g/mol
Topological Polar Surface Area	34.2 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	388
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1