S-Methylisothiourea hemisulfate salt - CAS 867-44-7
Catalog: |
BB038058 |
Product Name: |
S-Methylisothiourea hemisulfate salt |
CAS: |
867-44-7 |
Synonyms: |
methyl carbamimidothioate;sulfuric acid |
IUPAC Name: | methyl carbamimidothioate;sulfuric acid |
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. |
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) |
InChI Key: | 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). |
MDL: | MFCD00013055 |
LogP: | 1.47090 |
Stability: | Stable. Incompatible with strong oxidizing agents. |
GHS Hazard Statement: | H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112755012-A | Application of S-methylisothiouronium sulfate in preparation of anti-influenza virus and escherichia coli co-infection medicine | 20210104 |
CN-112028839-A | Synthetic method of medicine intermediate cycloparaffin pyrimidine diketone compound | 20200930 |
WO-2021146543-A1 | Inhibitors of glucose-6-phosphate dehydrogenase and uses thereof | 20200115 |
CN-112851663-A | Fused heterocyclic compound and application thereof | 20191112 |
CN-112694475-A | Cycloalkyl and heterocycloalkyl inhibitors, and preparation method and application thereof | 20191023 |
PMID | Publication Date | Title | Journal |
25149594 | 20141001 | The comparative proteomics analysis revealed the modulation of inducible nitric oxide on the immune response of scallop Chlamys farreri | Fish & shellfish immunology |
22855617 | 20121101 | The regulatory role of the NO/cGMP signal transduction cascade during larval attachment and metamorphosis of the barnacle Balanus (=Amphibalanus) amphitrite | The Journal of experimental biology |
22885820 | 20121101 | Effect of S-methylisothiourea in acetaminophen-induced hepatotoxicity in rat | Naunyn-Schmiedeberg's archives of pharmacology |
22261582 | 20120601 | Protective effects of melatonin and S-methylisothiourea on mechlorethamine induced nephrotoxicity | The Journal of surgical research |
22374168 | 20120601 | The role of iNOS inhibitors on lung injury induced by gastrointestinal decontamination agents aspiration | Journal of molecular histology |
Complexity: | 124 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 278.01771846 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 6 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 278.01771846 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 233 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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