| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg | |||
| 10mg | |||
| 50mg | |||
| Other Sizes |
| Targets |
N3PT targets transketolase (TK), a key enzyme in the pentose phosphate pathway. It is a potent and selective inhibitor. N3PT is pyrophosphorylated and then binds to the apoenzyme form of transketolase (Apo-TK, lacking bound thiamine) with a Kd of 22 nM.
|
|---|---|
| ln Vitro |
In HCT-116 cells, N3PT (Compound 1) has an average human EC50 value of 26 nM transketolase [1]. N3PT (1 ppm or 5 ppm) does not decrease the activity of NADPH-containing phosphate-6-phosphate dehydrogenase (G6PD), but instead significantly inhibits the activity of the thiamine utilization enzyme [1].
In vitro, N3PT inhibits transketolase activity in cell-based assays. It acts as a competitive inhibitor of TK. The compound shows an IC₅₀ of 22 nM for Apo-TK and an EC₅₀ of 26 nM for cellular TK. |
| ln Vivo |
In HCT-116 tumor-bearing nude mice, N3PT (Compound 1) (100 mg/kg; iv; twice daily; 2 weeks) demonstrated reduction of transaminolase activity but no discernible anticancer action [ 1
In vivo, N3PT is a potent and selective transketolase inhibitor. Its ability to disrupt the pentose phosphate pathway makes it a valuable tool for studying cancer metabolism in animal models. |
| Enzyme Assay |
In vitro enzyme assays measure the inhibition of transketolase activity. The compound is incubated with the enzyme and its substrate, and the enzymatic activity is measured, typically by following the production of a product or the consumption of a substrate. The IC₅₀ is determined from concentration-response curves.
|
| Cell Assay |
In vitro cell-based assays evaluate the inhibition of cellular transketolase activity. Cells are treated with increasing doses of N3PT, and the enzymatic activity is measured and compared to untreated controls. The EC₅₀ for cellular TK is determined to be 26 nM.
|
| Animal Protocol |
Animal/Disease Models: HCT-116 tumor-bearing nude mice [1]
Doses: 100 mg/kg Route of Administration: intravenous (iv) (iv)injection; ]. twice (two times) daily; 2-week Experimental Results: Transketolase activity diminished but had no significant effect on tumor size. An alternative pathway for the production of ribose for DNA synthesis was shown to exist in these tumor cell lines. In vivo animal studies would typically involve administering N3PT to animal models of cancer or other diseases where the pentose phosphate pathway is a target. Endpoints would include tumor growth inhibition, metabolic changes, and assessment of target engagement. |
| ADME/Pharmacokinetics |
Pharmacokinetic (PK) properties of N3PT have not been detailed in the provided search results. As a small molecule, its absorption, distribution, metabolism, and excretion would be characterized in preclinical studies.
|
| Toxicity/Toxicokinetics |
The toxicity profile of N3PT has not been detailed in the provided search results. The compound is for research use only. It is typically stored as a powder at -20°C.
|
| References |
|
| Additional Infomation |
N3PT is also known as N3-pyridyl thiamine. It is supplied as a solid powder with a purity of ≥98%. The product is for research use only and not for human use.
|
| Molecular Formula |
C13H18N3OS+.CL-.HCL
|
|---|---|
| Molecular Weight |
336.28
|
| Exact Mass |
335.063
|
| CAS # |
13860-66-7
|
| PubChem CID |
66970987
|
| Appearance |
Light yellow to yellow solid powder
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
5
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
20
|
| Complexity |
267
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC1=NC(=C(C=C1)C[N+]2=CSC(=C2C)CCO)N.Cl.[Cl-]
|
| InChi Key |
ZLGKCAQWOASSTP-UHFFFAOYSA-M
|
| InChi Code |
InChI=1S/C13H18N3OS.2ClH/c1-9-3-4-11(13(14)15-9)7-16-8-18-12(5-6-17)10(16)2;;/h3-4,8,17H,5-7H2,1-2H3,(H2,14,15);2*1H/q+1;;/p-1
|
| Chemical Name |
2-[3-[(2-amino-6-methylpyridin-3-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO : ~2.86 mg/mL (~8.50 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: 8 mg/mL (23.79 mM) in 45% PEG300 +5% Tween-80 + 50% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication.
Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 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 | 0.2974 mL | 1.4869 mL | 2.9737 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
