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Antiviral API
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S-Methylisothiourea hemisulfate salt
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| Category | Herpes simplex Virus (HSV) |
| CAS | 867-44-7 |
| Description | (S)-Methylisothiourea sulfate is a more potent than NMMA as an inhibitor of inducible nitric oxide synthetase (iNOS). The Ki values are 120, 200, and 160 nM using purified human iNOS, eNOS, and nNOS, respectively. |
Product Information
| Synonyms | methyl carbamimidothioate;sulfuric acid |
| IUPAC Name | methyl carbamimidothioate;sulfuric acid |
| Molecular Weight | 139.19 |
| Molecular Formula | C4H14N4O4S3 |
| Canonical SMILES | CSC(=N)N.CSC(=N)N.OS(=O)(=O)O |
| InChI | InChI=1S/2C2H6N2S.H2O4S/c2*1-5-2(3)4;1-5(2,3)4/h2*1H3,(H3,3,4);(H2,1,2,3,4) |
| InChIKey | BZZXQZOBAUXLHZ-UHFFFAOYSA-N |
| Boiling Point | 138.8 °C at 760 mmHg |
| Melting Point | 240-241°C |
| Flash Point | 37.7°C |
| Purity | ≥98% (HPLC) |
| Density | 1.28 g /cm3 |
| Solubility | In vitro: 10 mM in DMSO |
| Appearance | White crystalline powder |
| Storage | Store in a cool and dry place (or refer to the Certificate of Analysis). |
| Complexity | 124 |
| Exact Mass | 278.01771846 |
| In Vitro | S-Methylisothiourea sulfate is a competitive inhibitor of iNOS activity at the L-arginine site. S-Methylisothiourea sulfate prevents the NO-mediated cytotoxic effect of LPS in cultured macrophages. S-Methylisothiourea sulfate (100 nM-100 μM) exhibits inhibitory effects on LPS (ug/mL)-induced nitrite production in J774.2 macrophages and rat aortic vascular smooth muscle cells. S-Methylisothiourea sulfate (up to 1 mM) does not inhibit the activity of xanthine oxidase, diaphorase, Lactate dehydrogenase, monoamine oxidase, catalase, cytochrome P450, or superoxide dismutase. |
| In Vivo | S-Methylisothiourea sulfate (0.01-3 mg/kg; i.v.) dose-dependently reverses the hypotension and the vascular hyporeactivity to vasoconstrictor agents caused by endotoxin LPS in anesthetized rats. S-Methylisothiourea sulfate (5 mg/kg; i.p.; given 2 hr after LPS; 10 mg/kg; i.p.) attenuates the rises in plasma alanine and aspartate aminotransferases, bilirubin, and creatinine and also prevents hypocalcaemia when measured 6 hr after administration of LPS. S-Methylisothiourea sulfate (1 mg/kg; i.p.) improves 24-hr survival of mice treated with a high dose of LPS (60 mg/kg; i.p.). |
| PSA | 158.15 |
| Target | NO Synthase; HSV |
