Physicochemical Properties
| Molecular Formula | C2H6N2S.1/2H2O4S |
| Molecular Weight | 139.18 |
| Exact Mass | 187.992 |
| CAS # | 867-44-7 |
| Related CAS # | 2986-19-8 (Parent) |
| PubChem CID | 13347 |
| Appearance | White to off-white solid powder |
| Density | 1.28 |
| Boiling Point | 138.8ºC at 760 mmHg |
| Melting Point | 240-241 °C (dec.)(lit.) |
| Flash Point | 37.7ºC |
| LogP | 1.47 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 2 |
| Heavy Atom Count | 15 |
| Complexity | 124 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | BZZXQZOBAUXLHZ-UHFFFAOYSA-N |
| InChi Code | 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) |
| Chemical Name | methyl carbamimidothioate;sulfuric acid |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| Targets | iNOS |
| ln Vitro | S-methylisothiourea sulfate is an inhibitor of iNOS activity at the L-arginine site that is competitive [1]. On cultured macrophages, S-methylisothiourea sulfate inhibits the NO-mediated cytotoxicity of LPS [1]. In J774.2 macrophages and rat aorta vascular smooth muscle cells, LPS (μg/mL)-induced nitrite generation is inhibited by S-methylisothiourea sulfate (100 nM-100 μM) [1].The activities of xanthine oxidase, diaphorase, lactate dehydrogenase, monoamine oxidase, catalase, cytochrome P450, and superoxide dismutase are not inhibited by S-methylisothiourea sulfate (up to 1 mM) [1]. |
| ln Vivo | In anesthetized rats, S-Methylisothiourea suLfate (0.01-3 mg/kg; i.v.) dose-dependently reverses endotoxin LPS-induced hypotension and vascular hyporesponsiveness to vasoconstrictors [1]. When assessed six hours after the injection of lipopolysaccharide (LPS), S-methylisothiourea sulfate (5 mg/kg; i.p.; given 2 hours after LPS; 10 mg/kg; i.p.) attenuates plasma alanine and aspartate aminotransferases, bilirubin, and elevations in creatinine. It also provides protection against hypocalcemia [1]. Mice treated with high-dose LPS (60 mg/kg; i.p.) have a higher 24-hour survival rate when given S-methylisothiourea sulfate (1 mg/kg; i.p.) [1]. |
| Animal Protocol |
Animal/Disease Models: Male Wistar rats (260-320 g)[1] Doses: 0.01 mg/kg, 0.1 mg/kg, 1 mg/kg, 3 mg/kg Route of Administration: intravenous (iv)injection Experimental Results: Caused a prompt restoration of the blood pressure to pre-LPS levels at 3 mg/kg dose in LPS (10 mg/kg, iv)-treated rats; Inhibited iNOS activity measured in homogenates of lung . |
| References |
[1]. Beneficial effects and improved survival in rodent models of septic shock with S-methylisothiourea sulfate, a potent and selective inhibitor of inducible nitric oxide synthase. Proc Natl Acad Sci U S A. 1994 Dec 20; 91(26): 12472-12476. |
| Additional Infomation | See also: S-Methylisothiopseudouronium (annotation moved to). |
Solubility Data
| Solubility (In Vitro) |
H2O : 65 mg/mL (467.02 mM) DMSO : < 1 mg/mL |
| Solubility (In Vivo) |
Solubility in Formulation 1: 50 mg/mL (359.25 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 7.1849 mL | 35.9247 mL | 71.8494 mL | |
| 5 mM | 1.4370 mL | 7.1849 mL | 14.3699 mL | |
| 10 mM | 0.7185 mL | 3.5925 mL | 7.1849 mL |