| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| Other Sizes |
| Targets |
Transketolase[1].
The primary target of Transketolase-IN-2 is transketolase, an essential enzyme in the non-oxidative phase of the pentose phosphate pathway (PPP). Transketolase catalyzes the transfer of a two-carbon unit from a ketose to an aldose, playing a critical role in generating ribose-5-phosphate for nucleotide synthesis and maintaining cellular redox balance. By inhibiting transketolase, the compound disrupts the PPP, which can impair the growth and survival of cancer cells that rely on this pathway. |
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| ln Vitro |
Transketolase-IN-2 (200 mg/L) has a 90% stem inhibition and a 92% root inhibition, which are substantial inhibitory effects against DS[1]. Transketolase-IN-2 (200 mg/L) has a 90% stem inhibition and a 91% root inhibition, which are substantial inhibitory actions against AR.
In vitro, Transketolase-IN-2 exhibits strong inhibitory effects against Digitaria sanguinalis and Amaranthus retroflexus, with inhibition rates exceeding 90% at 200 mg/L and approximately 80% at 100 mg/L. The compound is a potent transketolase inhibitor. It can be used to study the role of transketolase in cancer metabolism and other cellular processes. |
| ln Vivo |
In vivo, Transketolase-IN-2 may have potential applications in weed control, as it shows strong inhibition of weed growth. It may also have potential as an anticancer agent by targeting the metabolic vulnerabilities of cancer cells. However, detailed in vivo studies on its efficacy and safety are limited.
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| Enzyme Assay |
The in vitro enzyme assay for Transketolase-IN-2 involves measuring the inhibition of transketolase activity. Transketolase is incubated with its substrates, such as ribose-5-phosphate and xylulose-5-phosphate, in the presence of the compound. The production of sedoheptulose-7-phosphate and glyceraldehyde-3-phosphate is measured using a coupled enzyme assay or chromatographic methods. The inhibition of enzyme activity is quantified.
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| Cell Assay |
Cellular assays for Transketolase-IN-2 typically involve the use of cancer cell lines that rely on the PPP. Cells are treated with the compound, and metabolic flux through the PPP is measured using isotope labeling or other techniques. Cell proliferation, survival, and redox status are assessed to evaluate the effects of transketolase inhibition.
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| Animal Protocol |
In vivo animal studies for Transketolase-IN-2 have been conducted in the context of weed control, where the compound was tested on Digitaria sanguinalis and Amaranthus retroflexus. Studies in rodent models of cancer would be needed to evaluate its potential as an anticancer agent.
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| ADME/Pharmacokinetics |
As a small molecule, the pharmacokinetic properties of Transketolase-IN-2 would depend on its physicochemical characteristics. The compound has a molecular weight of 390.34 g/mol and a purity of 99.83%. Detailed ADME parameters such as half-life, bioavailability, and tissue distribution are not available in the public domain.
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| Toxicity/Toxicokinetics |
There is no specific toxicity data reported for Transketolase-IN-2 in mammals in the available literature. As a research chemical, the compound is intended for laboratory use only and should be handled with standard safety precautions. Toxicity studies would be required if the compound were to be developed further for therapeutic applications.
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| References | |
| Additional Infomation |
Transketolase-IN-2 (CAS#: 2757552-21-7) is a potent transketolase inhibitor. It has a molecular formula of C18H9F3N2O3S and a molecular weight of 390.34. The compound shows strong inhibitory effects on Digitaria sanguinalis and Amaranthus retroflexus. Transketolase-IN-2 is a valuable tool for investigating metabolic vulnerabilities in cancer cells.
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| Molecular Formula |
C18H9F3N2O3S
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|---|---|
| Molecular Weight |
390.335873365402
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| Exact Mass |
390.028
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| CAS # |
2757552-21-7
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| PubChem CID |
165437255
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| Appearance |
White to light yellow solid powder
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| LogP |
4.3
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
1
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| Heavy Atom Count |
27
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| Complexity |
641
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1(=O)C2=C3C(C=CC=C3C(=O)N1C(C1SC(C)=NC=1C(F)(F)F)=O)=CC=C2
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| InChi Key |
DSBLHEOFYWPYFY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H9F3N2O3S/c1-8-22-14(18(19,20)21)13(27-8)17(26)23-15(24)10-6-2-4-9-5-3-7-11(12(9)10)16(23)25/h2-7H,1H3
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| Chemical Name |
2-[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]benzo[de]isoquinoline-1,3-dione
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). Please store this product in a sealed and protected environment (e.g. under nitrogen), 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)
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| Solubility (In Vitro) |
DMSO: 33.33 mg/mL (85.39 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.40 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.5619 mL | 12.8093 mL | 25.6187 mL | |
| 5 mM | 0.5124 mL | 2.5619 mL | 5.1237 mL | |
| 10 mM | 0.2562 mL | 1.2809 mL | 2.5619 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.
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