Chemical Information | |
Antiviral agent ID | DrugRepV_1467 | |
Antiviral agent name | Bosentan | |
IUPAC Name | 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]benzenesulfonamide | |
SMILES (canonical) | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4OC | |
Molecular Formula | C27H29N5O6S | |
Molecular Weight (g/mol) | 551.618 | |
InChl | InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32) | |
Common Name | Bosentan | |
Synonyms | 4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-(2,2'-bipyrimidin)-4-yl) benzenesulfornamide | bosentán | bosentan | bosentanum | p-tert-Butyl-N-(6-(2-hydroxyethoxy)-5-(o-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl)benzenesulfonamide | |
Structural Information | |
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Clinical Information | |
Category | Cardiovascular agents
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Primary Indication (Clinical trial phases) | Approved
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Biological Information | |
Primary Indication (Disease Category) | Non Infectious Disease
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Primary Indication (Disease) | Pulmonary artery hypertension
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Secondary Indication | Zika virus (ZIKV) NA MEX_I_7 | |
Secondary Indication (Approaches) | Experimental-HTS | |
Secondary Indication (Methods) | In-vitro | |
Secondary Indication (Model system) [cell lines/ animal models] | Huh-7
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Secondary Indication (Mode of viral infection) | Adsorption
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Secondary Indication (Viral titer) | 0.4 MOI
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Secondary Indication (Mode of drug delivery) | Culture
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Secondary Indication (Time of drug delivery) | Pre infection (1 hour)
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Secondary Indication (Duration of drug delivery) | 24-26 hours
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Secondary Indication (Drug concentration) | 13.8 μM
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Secondary Indication (Cell based assay) | Fluorescence-based assay
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Secondary Indication (Change) | Decrease
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Secondary Indication (Type of Inhibition) | Percentage Inhibition [ 44.61 % ] | |
Reference | Barrows NJ, Campos RK, Powell ST, Prasanth KR, Schott-Lerner G, Soto-Acosta R, Galarza-Muñoz.A Screen of FDA-Approved Drugs for Inhibitors of Zika Virus Infection..Cell Host Microbe. 2016 Aug 10;20(2):259-70. doi: 10.1016/j.chom.2016.07.004. Epub 2016 Jul 28. PMID:27476412
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Comment | Several drugs reduced ZIKV infection across multiple cell types. This study identifies drugs that could be tested in clinical studies of ZIKV infection and provides a resource of small molecules to study ZIKV pathogenesis.
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