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Basic Description
| Synonyms | 2-Mercapto-4-pyrimidone | EINECS 205-508-8 | Tiouracyl | Tox21_111418_1 | 2-mercaptopyrimidine-4-one | BSPBio_002617 | 2-Mercapto-4(1H)-pyrimidinone | 2-thiouracil | Tox21_202418 | 59X161SCYL | HMS500F06 | Uracil, 2-thio- (VAN) | 2-Mercapto-4-hydroxypyrim |
|---|---|
| Specifications & Purity | ≥98% |
| Shipped In | Normal |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
- Class Diazines
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Superclass
Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrimidones |
| Alternative Parents | Pyrimidinethiones 2-Thiopyrimidines Hydropyrimidines Vinylogous amides Heteroaromatic compounds Thioureas Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-thiopyrimidine - Pyrimidinethione - Thiopyrimidine - Pyrimidone - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Lactam - Thiourea - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | a small molecule |
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Associated Targets(Human)
ALOX5
Tclin
Arachidonate 5-lipoxygenase (6568 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
TYR
Tclin
Tyrosinase (717 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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MAOA
Tclin
Monoamine oxidase A (11911 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
MAOB
Tclin
Monoamine oxidase B (8835 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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MMP3
Tchem
Matrix metalloproteinase 3 (3433 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
MMP8
Tchem
Matrix metalloproteinase 8 (1942 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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MMP1
Tchem
Matrix metalloproteinase-1 (7046 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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TP53
Tchem
Cellular tumor antigen p53 (48468 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Caco-2 (12174 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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SLCO1B1
Tchem
Solute carrier organic anion transporter family member 1B1 (2672 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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SLCO1B3
Tchem
Solute carrier organic anion transporter family member 1B3 (2517 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Associated Targets(non-human)
Mmp2
Matrix metalloproteinase-2 (12 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Hdac6
Histone deacetylase 6 (222 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mmp9
Matrix metalloproteinase 9 (38 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mus musculus (284745 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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J774.A1 (2436 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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S91 (48 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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lef
Anthrax lethal factor (7585 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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rep
Replicase polyprotein 1ab (378 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Bacillus anthracis (2936 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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fba
Putative fructose-1,6-bisphosphate aldolase (15559 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ffp
4'-phosphopantetheinyl transferase ffp (24982 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
SARS-CoV-2 (38078 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 | 488191787 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488191787 |
| IUPAC Name | 2-sulfanylidene-1H-pyrimidin-4-one |
| INCHI | InChI=1S/C4H4N2OS/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8) |
| InChIKey | ZEMGGZBWXRYJHK-UHFFFAOYSA-N |
| Smiles | C1=CNC(=S)NC1=O |
| Isomeric SMILES | C1=CNC(=S)NC1=O |
| WGK Germany | 3 |
| RTECS | YR1575000 |
| PubChem CID | 1269845 |
| Molecular Weight | 128.15 |
| Beilstein | 112227 |
| Reaxy-Rn | 112227 |
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 |
|---|---|---|---|
 I2110335 |
Certificate of Analysis | Jun 09, 2025 | T106704 |
| I2110336 |
Certificate of Analysis | Jun 09, 2025 | T106704 |
| I2110337 |
Certificate of Analysis | Jun 09, 2025 | T106704 |
| I2110338 |
Certificate of Analysis | Jun 09, 2025 | T106704 |
| F2115216 |
Certificate of Analysis | Mar 04, 2025 | T106704 |
| F2115218 |
Certificate of Analysis | Mar 04, 2025 | T106704 |
| F2115220 |
Certificate of Analysis | Mar 04, 2025 | T106704 |
| F2115217 |
Certificate of Analysis | Mar 04, 2025 | T106704 |
| J2330582 |
Certificate of Analysis | Aug 26, 2023 | T106704 |
| J2330581 |
Certificate of Analysis | Aug 26, 2023 | T106704 |
| K2422248 |
Certificate of Analysis | Aug 26, 2023 | T106704 |
| E2322234 |
Certificate of Analysis | May 09, 2023 | T106704 |
| E2322256 |
Certificate of Analysis | May 09, 2023 | T106704 |
| E2322257 |
Certificate of Analysis | May 09, 2023 | T106704 |
| E2322230 |
Certificate of Analysis | May 09, 2023 | T106704 |
| E2322247 |
Certificate of Analysis | May 09, 2023 | T106704 |
| C1907171 |
Certificate of Analysis | Dec 14, 2022 | T106704 |
| I2214197 |
Certificate of Analysis | Jul 11, 2022 | T106704 |
| I2214201 |
Certificate of Analysis | Jul 11, 2022 | T106704 |
| I2214200 |
Certificate of Analysis | Jul 11, 2022 | T106704 |
| I2214198 |
Certificate of Analysis | Jul 11, 2022 | T106704 |
| I2214199 |
Certificate of Analysis | Jul 11, 2022 | T106704 |
| D1823153 |
Certificate of Analysis | Feb 16, 2022 | T106704 |
| B2224623 |
Certificate of Analysis | Feb 11, 2022 | T106704 |
| B2224607 |
Certificate of Analysis | Feb 11, 2022 | T106704 |
| B2224608 |
Certificate of Analysis | Feb 11, 2022 | T106704 |
| E2304278 |
Certificate of Analysis | Feb 11, 2022 | T106704 |
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Chemical and Physical Properties
| Solubility | Solubility in water: Practically insoluble |
|---|---|
| Melt Point(°C) | >300°C |
| Molecular Weight | 128.150 g/mol |
| XLogP3 | -0.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 0 |
| Exact Mass | 128.004 Da |
| Monoisotopic Mass | 128.004 Da |
| Topological Polar Surface Area | 73.200 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 163.000 |
| 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 | 1 |
Citations of This Product
| 1. Kaijie Xu, Kangping Cui, Minshu Cui, Xueyan Liu, Xing Chen. (2023) Carbonyl heterocycle modified mesoporous carbon nitride in photocatalytic peroxydisulfate activation for enhanced ciprofloxacin removal: Performance and mechanism. JOURNAL OF HAZARDOUS MATERIALS, 444 (130412). |
| 2. Feifei Xu, Jianghong Zhao, Jianlong Wang, Taotao Guan, Kaixi Li. (2022) Strong coordination ability of sulfur with cobalt for facilitating scale-up synthesis of Co9S8 encapsulated S, N co-doped carbon as a trifunctional electrocatalyst for oxygen reduction reaction, oxygen and hydrogen evolution reaction. JOURNAL OF COLLOID AND INTERFACE SCIENCE, 608 (2623). |
| 3. Xiaolei Zhao, Yu He, Yanan Wang, Shuo Wang, Junping Wang. (2020) Hollow molecularly imprinted polymer based quartz crystal microbalance sensor for rapid detection of methimazole in food samples. FOOD CHEMISTRY, 309 (125787). |
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