[CAS NO. 13860-66-7] N3PT
PRODUCTS SPECIFICATIONS [13860-66-7]
DESCRIPTION [13860-66-7]
Overview
| MDL | MFCD26142554 |
|---|---|
| Molecular Weight | 336.28 |
| Molecular Formula | C13H19Cl2N3OS |
| SMILES | CC1=C(CCO)SC=[N+]1CC2=CC=C(C)N=C2N.[H]Cl.[Cl-] |
Summary
N3PT (N3-pyridyl thiamine) is a potent and selective transketolase inhibitor. N3PT is pyrophosphorylated and then binds to transketolase with an K d value of 22 nM ( Apo-TK , transketolase lacking bound thiamine) [1] .
IC50 & Target
transketolase [1]
In Vitro
Transketolase is a key enzyme in pentose phosphate pathway of tumor cells
[1]
.
N3PT (compound 1) shows an average EC
50
value of 26 nM against human transketolase in HCT-116 cells
[1]
.
N3PT (1 ppM or 5 ppM) inhibits thiamine-utilizing enzymes activity dramatically without reducing NADPH-containing glucose-6-phosphate dehydrogenase (G6PD) activity
[1]
.
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
N3PT (compound 1) (100 mg/kg; i.v.; twice a day; 2 weeks) shows inhibitory effect on transketolase activity without significantly anti-tumor activity in HCT-116 tumor-bearing nude mice
[1]
.
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
| Animal Model: | HCT-116 tumor-bearing nude mice [1] |
| Dosage: | 100 mg/kg |
| Administration: | Intravenous injection; twice a day; 2 weeks |
| Result: |
Decreased the activity of transketolase with no apparent effect on tumor size.
Indicated that there were alternative pathways to generate ribose for DNA synthesis that were operating in these tumor cell lines. |
Appearance
Solid
Shipping
Room temperature in continental US; may vary elsewhere.
Storage
4°C, sealed storage, away from moisture
* In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)
Solvent & Solubility
DMSO : 2.86 mg/mL ( 8.50 mM ; Need ultrasonic)
Stock Solutions
| Concentration Solvent Mass | 1 mg | 5 mg | 10 mg |
|---|
| 1 mM | 2.9737 mL | 14.8686 mL | 29.7371 mL |
| 5 mM | 0.5947 mL | 2.9737 mL | 5.9474 mL |
| 10 mM | --- | --- | --- |
-
1.
References
- [1] Thomas AA, et al. Synthesis, in vitro and in vivo activity of thiamine antagonist transketolase inhibitors. Bioorg Med Chem Lett. 2008 Mar 15;18(6):2206-10.
- [2] Jeno Gyuris, May Han, Ronan C, N3-pyridyl-thiamine and its use in cancer treatments. Patent Numeber: WO2005094803 A2
- [3] Allen A. Thomas, Josh Ballard, Bryan Bernat. Potent and Selective Thiamine Antagonists That Inhibit Transketolase.
- [4] Thomas AA, De Meese J, Le Huerou Y, Non-charged thiamine analogs as inhibitors of enzyme transketolase. Bioorg Med Chem Lett. 2008 Jan 15;18(2):509-12.