AKOS B018329
CAS No.:
100063-24-9
M. Wt:
265.35100
M. Fa:
C12H11NO2S2
InChI Key:
POAHNNUHMFNSCH-JXMROGBWSA-N
Names and Identifiers of AKOS B018329
CAS Number |
100063-24-9 |
|---|---|
MDL Number |
MFCD04969033 |
IUPAC Name |
(5E)-5-[(4-ethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
InChI |
InChI=1S/C12H11NO2S2/c1-2-15-9-5-3-8(4-6-9)7-10-11(14)13-12(16)17-10/h3-7H,2H2,1H3,(H,13,14,16)/b10-7+ |
InChIKey |
POAHNNUHMFNSCH-JXMROGBWSA-N |
Canonical SMILES |
CCOC1=CC=C(/C=C2/SC(S)=NC2=O)C=C1 |
UNSPSC Code |
12352100 |
Physical and chemical properties of AKOS B018329
Boiling Point |
423.7ºC at 760 mmHg |
|---|---|
Density |
1.37g/cm3 |
Exact Mass |
265.02300 |
Flash Point |
210.1ºC |
Index of Refraction |
1.678 |
LogP |
2.42100 |
Molecular Formula |
C12H11NO2S2 |
Molecular Weight |
265.35100 |
PSA |
102.76000 |
Vapour Pressure |
2.19E-07mmHg at 25°C |
Safety Information of AKOS B018329
Applications of AKOS B018329
The applications of (5E)-5-(4-ethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one are diverse and include:
- Pharmaceutical Development: Its antimicrobial and cytotoxic properties make it a candidate for drug development targeting infectious diseases and cancer.
- Research Tool: This compound can be used in biological research to study mechanisms of action related to thiazole derivatives.
- Agricultural Chemistry: Potential applications in agrochemicals due to its antimicrobial properties could help in developing new pesticides or fungicides.
Interaction Studies of AKOS B018329
Interaction studies involving (5E)-5-(4-ethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one focus on its binding affinities with various biological targets. These studies often employ techniques such as:
- Molecular Docking Studies: To predict how the compound interacts at the molecular level with enzymes or receptors.
- In Vitro Assays: To evaluate its efficacy against specific pathogens or cancer cell lines.
Such studies are crucial for understanding the pharmacodynamics and pharmacokinetics of the compound.
Biological Activity of AKOS B018329
(5E)-5-(4-ethoxybenzylidene)-2-mercapto-1,3-thiazol-4(5H)-one exhibits significant biological activities, including:
- Antimicrobial Properties: Studies indicate that this compound possesses antibacterial and antifungal activities, making it a candidate for developing new antimicrobial agents.
- Antioxidant Activity: The presence of the thiazole ring contributes to its ability to scavenge free radicals, providing potential benefits in oxidative stress-related conditions.
- Cytotoxic Effects: Preliminary investigations suggest that this compound may exhibit cytotoxicity against certain cancer cell lines, indicating its potential as an anticancer agent.
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