| Chemical Information | |
| Antiviral agent ID | DrugRepV_6549 | |
| Antiviral agent name | Tofacitinib |  |
| IUPAC Name | 3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile |  |
| SMILES (canonical) | CC1CCN(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N | |
| SMILES (isomeric) | C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N | |
| Molecular Formula | C16H20N6O | |
| Molecular Weight (g/mol) | 312.377 | |
| InChl | InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1 | |
| Common Name | Tofacitinib | |
| Synonyms | Tasocitinib | Tofacitinibum | |
| Structural Information | |
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| Clinical Information | |
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Category | Antineoplastic and Immunomodulating Agents
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Primary Indication (Clinical trial phases) | Approved, Investigational
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| Biological Information | |
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Primary Indication (Disease Category) | Non Infectious Disease
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Primary Indication (Disease) | Rheumatoid arthritis
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Secondary Indication | Human immunodeficiency virus (HIV) HIV-1 HIV-1LAI |   |
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Secondary Indication (Approaches) | Experimental | |
| Secondary Indication (Methods) | In-vitro | |
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Secondary Indication (Model system) [cell lines/ animal models] | Human macrophage
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Secondary Indication (Mode of viral infection) | Adsorption
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Secondary Indication (Viral titer) | 0.1 MOI
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Secondary Indication (Mode of drug delivery) | Culture
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Secondary Indication (Time of drug delivery) | Post infection
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Secondary Indication (Duration of drug delivery) | 7 days
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Secondary Indication (Drug concentration) | 2.9 ± 1.4 μM
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Secondary Indication (Cell based assay) | Enzyme-linked immunosorbent assay
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Secondary Indication (Change) | Decrease
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Secondary Indication (Type of Inhibition) | EC90 [ 90 % ] | |
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Secondary Indication (Cytotoxicity) | 17 μM | |
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Reference | Gavegnano C, Detorio M, Montero C, Bosque A, Planelles V, Schinazi RF..Ruxolitinib and tofacitinib are potent and selective inhibitors of HIV-1 replication and virus react.Antimicrob Agents Chemother. 2014;58(4):1977-86. doi: 10.1128/AAC.02496-13. Epub 2014 Jan 13. PMID:24419350
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Comment | Combination of tofacitinib and ruxolitinib increased the efficacy by 53- to 161-fold versus that observed for monotherapy, respectively, and each drug applied alone to primary human lymphocytes dis- played similar efficacy against HIV-1 containing various polymerase substitutions.
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