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Basic Description
| Synonyms | SMT | AKOS003243960 | S-METHYLISOTHIOUREA HEMISULFURIC ACID SALT | s-methylisothiouronium sulfate | SR-01000946617-1 | NCGC00261440-01 | 2-Methyl-2-thiopseudourea sulfate (2:1) | bis((methylsulfanyl)methanimidamide); sulfuric acid | EU-0100755 | Carbamimi |
|---|---|
| Specifications & Purity | ≥98% |
| Biochemical and Physiological Mechanisms | Highly selective, potent competitive inhibitor of iNOS. |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic acids and derivatives
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Class
Organic sulfuric acids and derivatives
- Subclass Organic sulfuric acids
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Class
Organic sulfuric acids and derivatives
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Superclass
Organic acids and derivatives
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Organic sulfuric acids and derivatives |
| Subclass | Organic sulfuric acids |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Organic sulfuric acids |
| Alternative Parents | Isothioureas Sulfenyl compounds Carboximidamides Organopnictogen compounds Organic oxides Imines Hydrocarbon derivatives |
| Molecular Framework | Not available |
| Substituents | Sulfuric acid - Isothiourea - Sulfenyl compound - Carboximidamide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Imine - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as organic sulfuric acids. These are organic compounds containing the sulfuric acid functional group, with the generic structure HOS(=O)(=O)OH. |
| External Descriptors | Not available |
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Associated Targets(Human)
CYP2D6
Tclin
Cytochrome P450 2D6 (1 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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CYP2C19
Tchem
Cytochrome P450 2C19 (1 Activities)
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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CYP2D6
Tclin
Cytochrome P450 2D6 (33882 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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CYP1A2
Tchem
Cytochrome P450 1A2 (26471 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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CYP2C9
Tchem
Cytochrome P450 2C9 (32119 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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CYP2C19
Tchem
Cytochrome P450 2C19 (29246 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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CYP3A4
Tclin
Cytochrome P450 3A4 (53859 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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KDM4E
Tchem
Lysine-specific demethylase 4D-like (40243 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Associated Targets(non-human)
Npsr1
Neuropeptide S receptor (260 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| Pubchem Sid | 488181835 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488181835 |
| IUPAC Name | methyl carbamimidothioate;sulfuric acid |
| 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 |
| Smiles | CSC(=N)N.CSC(=N)N.OS(=O)(=O)O |
| Isomeric SMILES | CSC(=N)N.CSC(=N)N.OS(=O)(=O)O |
| WGK Germany | 3 |
| RTECS | UM9200000 |
| Molecular Weight | 278.36 |
| Beilstein | 3717365 |
| Reaxy-Rn | 3917217 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3917217&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H2401139 |
Certificate of Analysis | Jul 17, 2024 | M108041 |
| H2401138 |
Certificate of Analysis | Jul 17, 2024 | M108041 |
| H2401141 |
Certificate of Analysis | Jul 17, 2024 | M108041 |
| H2401140 |
Certificate of Analysis | Jul 17, 2024 | M108041 |
| A2426037 |
Certificate of Analysis | Feb 22, 2024 | M108041 |
| B2307270 |
Certificate of Analysis | Feb 11, 2023 | M108041 |
| F1822032 |
Certificate of Analysis | Apr 26, 2022 | M108041 |
| D2318274 |
Certificate of Analysis | Sep 03, 2021 | M108041 |
| D2320074 |
Certificate of Analysis | Sep 03, 2021 | M108041 |
Chemical and Physical Properties
| Solubility | Soluble in water} |
|---|---|
| Sensitivity | Hygroscopic |
| Melt Point(°C) | 240-241°C |
| Molecular Weight | 278.400 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 2 |
| Exact Mass | 278.018 Da |
| Monoisotopic Mass | 278.018 Da |
| Topological Polar Surface Area | 233.000 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 124.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 3 |
Citations of This Product
| 1. Xiaoxiang Cheng,Heng Liang,An Ding,Xuewu Zhu,Xiaobin Tang,Zhendong Gan,Jiajian Xing,Daoji Wu,Guibai Li. (2017-08-05) Application of Fe(II)/peroxymonosulfate for improving ultrafiltration membrane performance in surface water treatment: Comparison with coagulation and ozonation.. Water research, 124 (298-307). |
| 2. Xiaoxiang Cheng,Daoji Wu,Heng Liang,Xuewu Zhu,Xiaobin Tang,Zhendong Gan,Jiajian Xing,Xinsheng Luo,Guibai Li. (2018-08-17) Effect of sulfate radical-based oxidation pretreatments for mitigating ceramic UF membrane fouling caused by algal extracellular organic matter.. Water research, 145 (39-49). |
| 3. Zhao Bin Li,Jing Liu,Ju Xiang Liu,Zhan Hui Wang,Jian Ping Wang. (2019-04-17) Determination of sulfonamides in meat with dummy-template molecularly imprinted polymer-based chemiluminescence sensor.. Analytical and bioanalytical chemistry, 411 ((14)): (3179-3189). |
| 4. Shizong Wang,Jianlong Wang. (2019-12-23) A novel strategy of successive non-radical and radical process for enhancing the utilization efficiency of persulfate.. Chemosphere, 245 (125555-125555). |
| 5. Yihang Wu, Zixiu Liu, Zhenxiu He, Jumei Yi, Xingfang Qiao, Chunbin Tan, Yajing Xing, Yaobo Zeng, Dajian Yang, Junlin Yin, Baomin Fan, Guangzhi Zeng. (2023) Cantharidin analogue alleviates dextran sulfate sodium-induced colitis in mice by inhibiting the activation of NF-κB signaling. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 260 (115731). |
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