2-Methyl-2-thiopseudourea sulfate CAS 867-44-7

Introduction：Basic information about 2-Methyl-2-thiopseudourea sulfate CAS 867-44-7, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

2-Methyl-2-thiopseudourea sulfate Basic information

• Product Name: 2-Methyl-2-thiopseudourea sulfate
• Synonyms: s-methylthiouroniumsulfate(2:1);S-METHYL-ISO-THIOUREA;S-MethyliSothourea Sulfate;S-METHYLISOTHIOUREA HEMISULFATE NITRIC O XIDE SYNTHASE;S-Methylthioureasulfate=2-Methyl-2-thiopseudoureasulfate;2-Methyl-2-thiopseudourea sulphate;S-EIT hemihydrate;S-Methylisothiouroniumsulfate,98%
• CAS: 867-44-7
• MF: C2H8N2O4S2
• MW: 188.23
• EINECS: 212-759-7
• Product Categories: Cell Signaling and Neuroscience;Nitric Oxide and Cell Stress;Nitric Oxide Metabolism;Nitric Oxide Synthase Regulators;Bioactive Small Molecules;Building Blocks;Cell Biology;Chemical Synthesis;M;Organic Building Blocks;Nitric Oxide;pharmacetical;Sulfur Compounds;Thioureas
• Mol File: 867-44-7.mol

2-Methyl-2-thiopseudourea sulfate Chemical Properties

• Melting point: 240-241 °C (dec.)(lit.)
• density: 1.28
• Fp: 3℃
• storage temp.: Inert atmosphere,Room Temperature
• solubility: H₂O: 0.1 g/mL, clear, colorless
• pka: pK1:9.83(＋1) (25°C)
• form: Crystals or Crystalline Powder
• color: White
• PH: 5.5 (260g/l, H2O, 20℃)
• Water Solubility: 260 g/L (20 ºC)
• Sensitive: Hygroscopic
• BRN: 3917217
• Stability: Stable. Incompatible with strong oxidizing agents.
• 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
• SMILES: CSC(N)=N.CSC(N)=N.OS(O)(=O)=O
• CAS DataBase Reference: 867-44-7(CAS DataBase Reference)
• EPA Substance Registry System: Carbamimidothioic acid, methyl ester, sulfate (2:1) (867-44-7)

Safety Information

• Hazard Codes: Xn
• Risk Statements: 22
• Safety Statements: 22-24/25
• WGK Germany: 3
• RTECS: UM9200000
• TSCA: TSCA listed
• HS Code: 29309070
• Storage Class: 11 - Combustible Solids
• Hazard Classifications: Acute Tox. 4 Oral

2-Methyl-2-thiopseudourea sulfate Usage And Synthesis

Description

SMIT is a potent non-selective inhibitor of NOS isoforms in vitro but may lack good in vivo efficacy due to poor cellular penetration. The K_i values are 120, 200, and 160 nM using purified human iNOS, eNOS, and nNOS, respectively.

Chemical Properties

white crystalline powder

Uses

Intermediate of 4-Hydroxydebrisoquine. S-Methyl-isothiouronium Hemisulfate is also a reagent used in the synthesis of strobilurin-pyrimidine derivatives for their anti-proliferative activity.

Biochem/physiol Actions

More potent than NMMA as an inhibitor of inducible nitric oxide synthetase (iNOS).

References

[1] E. P. GARVEY. Potent and selective inhibition of human nitric oxide synthases. Inhibition by non-amino acid isothioureas.[J]. The Journal of Biological Chemistry, 1994, 50 1: 26669-26676. DOI: 10.1016/s0021-9258(18)47071-8

2-Methyl-2-thiopseudourea sulfate Preparation Products And Raw materials

• Preparation Products: 5-methoxy-2-(methylthio)pyrimidin-4-ol ,97%-->4-Chloro-2-(methylthio)pyrimidine-5-carbonitrile ,97%-->1-Methyl-3-nitro-1-nitrosoguanidine-->ETHYL 4-AMINO-2-(METHYLTHIO)PYRIMIDINE-5-CARBOXYLATE-->Ethyl 4-chloro-2-methylthio-5-pyrimidinecarboxylate-->Aminoguanidine bicarbonate-->1,4-DIHYDRO-2-(METHYLTHIO)-4-OXO-5-PYRIMIDINE-CARBOXYLATE ACID ETHYL ESTER-->IMINOCTADINE TRIACETATE-->5-CHLORO-2-METHOXYPYRIMIDINE-4-CARBOXYLIC ACID-->1,1-DIMETHYLGUANIDINE SULFATE-->5-[2-(METHYLTHIO)PYRIMIDIN-4-YL]THIOPHENE-2-SULFONYL CHLORIDE-->5-Chloro-2-(methylsulfonyl)pyrimidine-->METHYL 5-BROMO-2-(METHYLSULFANYL)-4-PYRIMIDINECARBOXYLATE, 97-->4-Methoxy-6-methyl-2-(methylsulfonyl)pyrimidine ,97%-->5-CHLORO-2-(METHYLSULFONYL)PYRIMIDINE-4-CARBOXYLIC ACID-->5-Bromo-4-chloro-2-(methylthio)-7H-pyrrolo[2,3-D]pyrimidine ,97%-->5-BROMO-2-(METHYLSULFONYL)PYRIMIDINE-4-CARBOXYLIC ACID-->2-(METHYLTHIO)-4-(TRIFLUOROMETHYL)PYRIMIDINE-->4-(Trifluoromethyl)-2-(methylthio)pyrimidine-5-carboxylic acid ,97%-->4-Hydroxy-2-(methylthio)pyrimidine-5-carbonitrile-->3-OXO-3-THIOPHEN-2-YL-PROPIONIC ACID ETHYL ESTER-->5-AMINOPYRIMIDINE-->5-Bromo-2-(methylthio)pyrimidine-4-carboxylic acid-->ethyl 2-(methylsulfanyl)-4-(trifluoromethyl)pyrimidine-5-carboxylate-->4-Methoxy-6-methyl-2-(methylthio)pyrimidine-->4-METHYL-2-METHYLSULFANYL-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER-->2-(METHYLSULFANYL)-5-PHENYLPYRIMIDINE-->5-Methyl-2-(methylsulfonyl)pyrimidine ,97%-->Aminoguanidinium sulphate-->2-(METHYLTHIO)ETHANOL-->1-(4-METHYL-2-(METHYLTHIO)PYRIMIDIN-5-YL)ETHANONE-->Gabexate mesylate-->4-AMINO-2-METHYLSULFANYL-PYRIMIDINE-5-CARBOXYLIC ACID-->ETHYL 2-(ETHYLTHIO)-4-HYDROXYPYRIMIDINE-5-CARBOXYLATE-->5-METHYL-2-METHYLSULFANYL-PYRIMIDINE