Cas no 861212-78-4 (4-Methyl-2-sulfanyl-5-pyrimidinecarboxylic acid)
4-Methyl-2-sulfanyl-5-pyrimidinecarboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-Methyl-2-sulfanyl-5-pyrimidinecarboxylic acid
- 6-methyl-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid
- 3R-1172
- 4-methyl-2-sulfanylpyrimidine-5-carboxylic acid
- 2-Mercapto-4-methylpyrimidine-5-carboxylic acid
- DTXSID90396045
- MFCD04125164
- AKOS005089512
- 861212-78-4
- 2-Mercapto-4-methylpyrimidine-5-carboxylicacid
- 4-methyl-2-sulfanylidene-1H-pyrimidine-5-carboxylic acid
- DB-358401
-
- MDL: MFCD04125164
- Inchi: 1S/C6H6N2O2S/c1-3-4(5(9)10)2-7-6(11)8-3/h2H,1H3,(H,9,10)(H,7,8,11)
- InChI Key: NLSOBDKKOMFARK-UHFFFAOYSA-N
- SMILES: S=C1N=CC(C(=O)O)=C(C)N1
Computed Properties
- Exact Mass: 170.01499861g/mol
- Monoisotopic Mass: 170.01499861g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 280
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0
- Topological Polar Surface Area: 93.8?2
Experimental Properties
- Density: 1.5±0.1 g/cm3
- Boiling Point: 305.6±52.0 °C at 760 mmHg
- Flash Point: 138.6±30.7 °C
- Vapor Pressure: 0.0±1.4 mmHg at 25°C
4-Methyl-2-sulfanyl-5-pyrimidinecarboxylic acid Security Information
- Signal Word:warning
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
4-Methyl-2-sulfanyl-5-pyrimidinecarboxylic acid Pricemore >>
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| Chemenu | CM374664-1g |
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861212-78-4 | 95%+ | 1g |
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| A2B Chem LLC | AI71784-5mg |
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| A2B Chem LLC | AI71784-10mg |
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| A2B Chem LLC | AI71784-500mg |
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$720.00 | 2024-04-19 | |
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4-Methyl-2-sulfanyl-5-pyrimidinecarboxylic acid Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
Additional information on 4-Methyl-2-sulfanyl-5-pyrimidinecarboxylic acid
Introduction to 4-Methyl-2-sulfanyl-5-pyrimidinecarboxylic acid (CAS No. 861212-78-4)
4-Methyl-2-sulfanyl-5-pyrimidinecarboxylic acid (CAS No. 861212-78-4) is a unique compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound, characterized by its distinct molecular structure, holds potential applications in the development of novel therapeutic agents. In this comprehensive introduction, we will delve into the chemical properties, biological activities, and recent advancements in the research and development of 4-Methyl-2-sulfanyl-5-pyrimidinecarboxylic acid.
The molecular formula of 4-Methyl-2-sulfanyl-5-pyrimidinecarboxylic acid is C7H7N2O2S, with a molecular weight of approximately 183.19 g/mol. The compound features a pyrimidine core with a methyl group at the 4-position, a sulfanyl group at the 2-position, and a carboxylic acid group at the 5-position. This unique arrangement of functional groups imparts specific chemical and biological properties that make it an intriguing candidate for various applications.
In terms of chemical stability, 4-Methyl-2-sulfanyl-5-pyrimidinecarboxylic acid is generally stable under standard laboratory conditions. However, it is important to note that the compound may exhibit sensitivity to certain conditions such as high temperatures or strong acids and bases. Proper storage and handling practices are essential to maintain its integrity and ensure its effectiveness in various applications.
The biological activity of 4-Methyl-2-sulfanyl-5-pyrimidinecarboxylic acid has been extensively studied in recent years. Research has shown that this compound possesses potent anti-inflammatory and antioxidant properties. These activities are attributed to its ability to modulate key signaling pathways involved in inflammation and oxidative stress. For instance, studies have demonstrated that 4-Methyl-2-sulfanyl-5-pyrimidinecarboxylic acid can inhibit the production of pro-inflammatory cytokines such as TNF-α and IL-6, thereby reducing inflammation in various cellular models.
In addition to its anti-inflammatory effects, 4-Methyl-2-sulfanyl-5-pyrimidinecarboxylic acid has also been investigated for its potential as an anticancer agent. Preclinical studies have shown that this compound can induce apoptosis in cancer cells by disrupting mitochondrial function and activating caspase-dependent pathways. Furthermore, it has been found to exhibit selective cytotoxicity towards cancer cells while sparing normal cells, making it a promising candidate for the development of targeted cancer therapies.
The pharmacokinetic properties of 4-Methyl-2-sulfanyl-5-pyrimidinecarboxylic acid have also been explored to better understand its potential as a therapeutic agent. Studies have shown that the compound exhibits good oral bioavailability and favorable pharmacokinetic profiles in animal models. These findings suggest that 4-Methyl-2-sulfanyl-5-pyrimidinecarboxylic acid could be effectively delivered orally, which would be advantageous for patient compliance in clinical settings.
In terms of safety, preliminary toxicological assessments have indicated that 4-Methyl-2-sulfanyl-5-pyrimidinecarboxylic acid has a low toxicity profile at therapeutic doses. However, further studies are necessary to fully evaluate its long-term safety and potential side effects. Ongoing research is focused on optimizing the formulation and delivery methods of this compound to enhance its therapeutic efficacy while minimizing any adverse effects.
The potential applications of 4-Methyl-2-sulfanyl-5-pyrimidinecarboxylic acid extend beyond its use as a standalone therapeutic agent. It has also been explored as a lead compound for the development of novel drug candidates through structural modifications and derivatization. For example, researchers have synthesized various analogs of 4-Methyl-2-sulfanyl-5-pyrimidinecarboxylic acid by introducing different substituents at various positions on the pyrimidine ring. These analogs have shown enhanced biological activities and improved pharmacological properties compared to the parent compound.
In conclusion, 4-Methyl-2-sulfanyl-5-pyrimidinecarboxylic acid (CAS No. 861212-78-4) is a promising compound with diverse biological activities and potential therapeutic applications. Its unique chemical structure and favorable pharmacological properties make it an attractive candidate for further research and development in the fields of medicinal chemistry and pharmaceutical sciences. As ongoing studies continue to uncover new insights into its mechanisms of action and potential uses, it is likely that this compound will play an increasingly important role in the discovery and development of novel therapeutic agents.
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