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Basic Description
| Synonyms | SPECTRUM1505015 | dithiole-3-thione | DITHIOLETHIONE | 1,2-Dithiole-3-thione | 1,2-dithiolene-3-thione | DITHIOLE-3-THIONE, 1,2- | CCG-207972 | J150.687K | NCGC00095291-01 | DTXSID7037052 | FT-0667743 | 3-H-1,2-Dithiole-2-thione (D3T) | InChI=1/C3H2S3/c4- |
|---|---|
| Specifications & Purity | ≥98% |
| Biochemical and Physiological Mechanisms | Potent antioxidant. Increases catalase and MnSoD in vivo. Blocks LPS-mediated induction of hepatic iNOS in vivo . Chemoprotective agent. Orally active. Active in vitro and in vivo . |
| Source | Synthetic |
| Storage Temp | Store at -20°C,Argon charged |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| Note | Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details. |
| Product Description |
Applications： A chemoprotective chemical. It is known to induce detoxication enzymes and inhibit chemica-induced tumors in multiple tissues. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Dithioles
- Subclass 1,2-dithioles
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Class
Dithioles
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Superclass
Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Dithioles |
| Subclass | 1,2-dithioles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1,2-dithiole-3-thiones |
| Alternative Parents | Heteroaromatic compounds Organosulfur compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 1,2-dithiole-3-thione - Heteroaromatic compound - Hydrocarbon derivative - Organosulfur compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as 1,2-dithiole-3-thiones. These are organic heterocyclic compounds containing a 1,2-dithiole ring that bears a C=S group. |
| External Descriptors | 1,2-dithiole |
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Associated Targets(Human)
VDR
Tclin
Vitamin D receptor (26531 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ALOX15B
Tchem
Arachidonate 15-lipoxygenase, type II (7244 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ALDH1A1
Tchem
Aldehyde dehydrogenase 1A1 (77053 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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PTPN11
Tchem
Protein-tyrosine phosphatase 2C (2297 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ALOX15
Tchem
Arachidonate 15-lipoxygenase (7108 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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NQO1
Tchem
Quinone reductase 1 (1746 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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SH-SY5Y (11521 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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HSD17B10
Tchem
Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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POLK
Tbio
DNA polymerase kappa (8653 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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TDP1
Tchem
Tyrosyl-DNA phosphodiesterase 1 (345557 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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LMNA
Tbio
Prelamin-A/C (36751 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Associated Targets(non-human)
Ptpn1
Protein-tyrosine phosphatase 1B (270 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Rattus norvegicus (775804 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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GCN5
Histone acetyltransferase GCN5 (89 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mapt
Microtubule-associated protein tau (6 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Rorc
Nuclear receptor ROR-gamma (89407 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ffp
4'-phosphopantetheinyl transferase ffp (24982 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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FTL
Ferritin light chain (43324 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
| IUPAC Name | dithiole-3-thione |
|---|---|
| INCHI | InChI=1S/C3H2S3/c4-3-1-2-5-6-3/h1-2H |
| InChIKey | LZENMJMJWQSSNJ-UHFFFAOYSA-N |
| Smiles | C1=CSSC1=S |
| Isomeric SMILES | C1=CSSC1=S |
| Molecular Weight | 134.25 |
| Reaxy-Rn | 106380 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=106380&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Solubility | Soluble in DMSO to 50 mM |
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| Melt Point(°C) | 79-83°C |
| Molecular Weight | 134.300 g/mol |
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 133.932 Da |
| Monoisotopic Mass | 133.932 Da |
| Topological Polar Surface Area | 82.700 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 94.200 |
| 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 | 1 |
Alternative Products
-
5-(4-Hydroxyphenyl)-3H-1,2-dithiole-3-thioneStarting at $29.90
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