Thionicotinamide Chemical Properties

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)

InChIKey

XQWBMZWDJAZPPX-UHFFFAOYSA-N

SMILES

C1=NC=CC=C1C(N)=S

LogP

0.670

CAS DataBase Reference

4621-66-3(CAS DataBase Reference)

EPA Substance Registry System

3-Pyridinecarbothioamide (4621-66-3)

Safety Information

Hazard Codes 

Xn

Risk Statements 

22-36/37/38

Safety Statements 

24/25-36-26

RTECS 

QS4488000

TSCA 

Yes

HazardClass 

IRRITANT

HS Code 

29333990

MSDS

• Language:English Provider:ACROS
• Language:English Provider:ALFA

Thionicotinamide Usage And Synthesis

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.

Thionicotinamide(4621-66-3)Related Product Information

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