Thionicotinamide
- CAS NO.：4621-66-3
- Empirical Formula: C6H6N2S
- Molecular Weight: 138.19
- MDL number: MFCD00006399
- EINECS: 225-036-6
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-08 18:06:34
What is Thionicotinamide?
Chemical properties
yellow powder
Definition
Thionicotinamide is the active moiety of two previously identified NADK inhibitors, NADS and NADPS. Treatment of C85 cancer cells with thionicotinamide resulted in an identical loss of dihydrofolate reductase levels, a G1/S block, and similar toxicity profiles as NADS and NADPS; that is, thionicotinamide is a prodrug and is converted intracellularly to NADPS[1].
References
[1] Philip M Tedeschi. “Suppression of Cytosolic NADPH Pool by Thionicotinamide Increases Oxidative Stress and Synergizes with Chemotherapy.” Molecular Pharmacology 88 4 (2015): 720–7.
Properties of Thionicotinamide
| Melting point: | 185-190 °C |
| Boiling point: | 278.9±32.0 °C(Predicted) |
| Density | 1.235 (estimate) |
| refractive index | 1.5300 (estimate) |
| Flash point: | 160 °C |
| storage temp. | Inert atmosphere,Room Temperature |
| pka | 12.01±0.29(Predicted) |
| form | Powder |
| color | Yellow to yellow-green |
| BRN | 109593 |
| InChI | InChI=1S/C6H6N2S/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9) |
| CAS DataBase Reference | 4621-66-3(CAS DataBase Reference) |
| EPA Substance Registry System | 3-Pyridinecarbothioamide (4621-66-3) |
Safety information for Thionicotinamide
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P280:Wear protective gloves/protective clothing/eye protection/face protection. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P405:Store locked up. P501:Dispose of contents/container to..… |
Computed Descriptors for Thionicotinamide
| InChIKey | XQWBMZWDJAZPPX-UHFFFAOYSA-N |
| SMILES | C1=NC=CC=C1C(N)=S |
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