| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
Transketolase (TK)
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|---|---|
| ln Vitro |
Transketolase-IN-1 is a potent inhibitor of transketolase, a key enzyme in the non-oxidative branch of the pentose phosphate pathway (PPP). The PPP provides ribose-5-phosphate for nucleotide synthesis and generates NADPH for antioxidant defense. Inhibition of transketolase disrupts metabolic flux through the PPP and affects cellular redox balance and biosynthesis. Transketolase-IN-1 was developed as a herbicide candidate for weed control in wheat and corn fields. No specific IC50 value is publicly available, but the compound is described as a "promising" herbicide candidate based on in vivo herbicidal activity.
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| ln Vivo |
In vivo herbicidal activity has been demonstrated for Transketolase-IN-1. As a herbicide candidate, the compound effectively controls weeds in wheat and maize fields. The herbicidal activity is attributed to inhibition of transketolase, disrupting the pentose phosphate pathway in target plants. This leads to metabolic dysfunction, reduced biosynthesis of nucleotides, and impaired antioxidant defense, ultimately causing weed death. The compound was designed and synthesized based on thioether-containing 1,2,4-triazole Schiff bases. In vivo data are available from agricultural field trials (e.g., against Amaranthus retroflexus and Digitaria sanguinalis), but specific doses and efficacy metrics are not detailed in public sources.
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| Enzyme Assay |
For biochemical assays, recombinant plant transketolase (e.g., from wheat, maize, or Arabidopsis) is expressed in E. coli and purified. The transketolase activity assay measures the conversion of xylulose-5-phosphate and ribose-5-phosphate to sedoheptulose-7-phosphate and glyceraldehyde-3-phosphate. The reaction is coupled with triose phosphate isomerase and glycerol-3-phosphate dehydrogenase, and the consumption of NADH is measured by decrease in absorbance at 340 nm. Alternatively, a fluorogenic assay using a thiamine pyrophosphate (TPP)-dependent enzymatic reaction can be used. Transketolase-IN-1 is incubated with the enzyme for 5-10 minutes prior to substrate addition. IC50 values are determined from dose-response curves. No specific IC50 value is publicly available for Transketolase-IN-1. The compound was designed and synthesized following methods described in the literature (Wang YE, et al. J Agric Food Chem. 2021). For detailed protocols, refer to the original publication.
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| Cell Assay |
No published cell-based assays for Transketolase-IN-1 in plant cells; however, the compound is intended for use in plants. For plant cell assays, suspension cultures of weed species (e.g., Amaranthus retroflexus, Digitaria sanguinalis) or crop plants (wheat, maize) can be used. Plant cells are cultured in appropriate growth media (e.g., Murashige and Skoog medium) under sterile conditions with light/dark cycles. Cells are treated with Transketolase-IN-1 (0.1-100 uM) for 24-72 hours. Plant cell viability is assessed by FDA (fluorescein diacetate) staining, Evans blue staining, or MTT assay. Transketolase activity in plant cell lysates is measured using the biochemical assay described above. Metabolic changes can be assessed by measuring NADPH levels, glutathione (GSH/GSSG) levels, and ribose-5-phosphate levels. Chlorophyll content and photosynthetic efficiency (by chlorophyll fluorescence) can also be measured. No specific cellular data for Transketolase-IN-1 are publicly available.
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| Animal Protocol |
In vivo herbicidal activity assays are performed using greenhouse or field trials. Weed seeds (e.g., Amaranthus retroflexus, Digitaria sanguinalis) are germinated and grown in pots or in agricultural plots. Transketolase-IN-1 is formulated as a sprayable solution (typically with surfactants and adjuvants) and applied post-emergence at varying concentrations (e.g., 0-90 g active ingredient per hectare). Weed control efficacy is assessed by visual scoring of weed injury (0-100% scale) at 7, 14, and 21 days after treatment. Fresh weight and dry weight of surviving weeds are measured. Crop tolerance is assessed in wheat and corn (maize) grown in the same conditions; crop injury is scored similarly, and crop yield is measured at harvest. Transketolase-IN-1 has been reported as a promising herbicide candidate based on such in vivo assays. Specific efficacy data are not detailed in public sources but can be found in the primary research article (Wang YE, et al. J Agric Food Chem. 2021). The compound exhibits excellent postemergence herbicidal activity against DS and AR.
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| ADME/Pharmacokinetics |
No specific pharmacokinetic data for Transketolase-IN-1 in plants or animals. As an agricultural chemical, its uptake and translocation in plants are important. The compound is likely absorbed through leaf surfaces after spray application and translocated via the phloem to growing points. Metabolism in plants occurs via phase I (oxidation, reduction) and phase II (conjugation) enzymes, leading to detoxification. In soil, the compound may be degraded by microorganisms. For animal studies (toxicity testing), no data are publicly available. Solubility: DMSO 100 mg/mL (294.63 mM). In vivo formulation for plant spraying: the compound is dissolved in an appropriate organic solvent (e.g., acetone, DMSO) and diluted with water containing a surfactant (e.g., Tween 80, 0.1-0.5%) to achieve the desired concentration for spray application. For injection in plants (e.g., leaf infiltration), 10% DMSO + 40% PEG300 + 5% Tween80 + 45% saline can be used (2.5 mg/mL). Storage: powder at -20degC.
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| Toxicity/Toxicokinetics |
No specific toxicity data for Transketolase-IN-1 in mammals. As a herbicide candidate, toxicological studies are required for registration. Transketolase is present in mammalian cells, and inhibition of transketolase in mammals could potentially disrupt the pentose phosphate pathway and cause metabolic disturbances (e.g., reduced NADPH production, increased oxidative stress, impaired nucleotide synthesis). Therefore, selective toxicity between plants and mammals is a key consideration for herbicide development. Transketolase-IN-1 was designed as a herbicide for use in wheat and corn fields, suggesting that it has acceptable selectivity, with low toxicity to crops (wheat, corn) and presumably to mammals. However, no publicly available data on acute toxicity (LD50), genotoxicity, or chronic toxicity in animals is available. For research use only; handle with standard laboratory precautions (gloves, lab coat, eye protection). Avoid release into the environment. Not for human use.
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| References | |
| Additional Infomation |
Transketolase-IN-1 (CAS: 2763650-87-7) is a small-molecule inhibitor of transketolase (TK), a key enzyme in the non-oxidative branch of the pentose phosphate pathway (PPP). The compound has been developed as a promising herbicide candidate for weed control in wheat and corn (maize) fields. It exhibits herbicidal activity against weeds such as Digitaria sanguinalis (crabgrass) and Amaranthus retroflexus (redroot pigweed). Transketolase-IN-1 was designed and synthesized based on thioether-containing 1,2,4-triazole Schiff bases. Molecular formula: C17H19N5OS (or C13H17N8OS depending on source), molecular weight: 339.41. Solubility: DMSO 100 mg/mL (294.63 mM). Storage: powder at -20degC for 3 years. Not for human use. For research use only. Reference: Wang YE, et al. Design, Synthesis, and Herbicidal Activity of Thioether Containing 1,2,4-Triazole Schiff Bases as Transketolase Inhibitors. J Agric Food Chem. 2021;69(40):11773-11780.
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| Molecular Formula |
C17H17N5OS
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|---|---|
| Molecular Weight |
339.414781332016
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| Exact Mass |
339.115
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| CAS # |
2763650-87-7
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| PubChem CID |
163323780
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| Appearance |
White to light yellow solid powder
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| LogP |
3.2
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
24
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| Complexity |
447
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=CC=C(O1)/C=N/N2C(=NN=C2SCC3CC3)C4=CC=CC=N4
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| InChi Key |
ZTKRJAFKTTXUJE-VXLYETTFSA-N
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| InChi Code |
InChI=1S/C17H17N5OS/c1-12-5-8-14(23-12)10-19-22-16(15-4-2-3-9-18-15)20-21-17(22)24-11-13-6-7-13/h2-5,8-10,13H,6-7,11H2,1H3/b19-10+
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| Chemical Name |
(E)-N-[3-(cyclopropylmethylsulfanyl)-5-pyridin-2-yl-1,2,4-triazol-4-yl]-1-(5-methylfuran-2-yl)methanimine
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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 |
| 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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9463 mL | 14.7314 mL | 29.4629 mL | |
| 5 mM | 0.5893 mL | 2.9463 mL | 5.8926 mL | |
| 10 mM | 0.2946 mL | 1.4731 mL | 2.9463 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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