| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| Other Sizes |
| Targets |
Transketolase (TK)
|
|---|---|
| ln Vitro |
The inhibitory effects of transketolase-IN-3 (100 mg/L) in Digitaria sanguinalis (DS) and Amaranthus retroflexus (AR) are more pronounced [1]. Transketolase-IN-3 has good postemergence herbicidal efficacy against DS and AR (at 0-90 g)[1].
Transketolase-IN-3 is a potent inhibitor of transketolase (TK), a key enzyme in the non-oxidative branch of the pentose phosphate pathway (PPP). It exhibits herbicidal activity against Digitaria sanguinalis (DS) and Amaranthus retroflexus (AR). The compound is a naphthalimide-aroyl hybrid. At 100 mg/L, Transketolase-IN-3 exhibits strong inhibitory effects against DS and AR. At application rates of 0-90 g active ingredient per hectare, it exhibits excellent postemergence herbicidal activity against DS and AR. The compound was designed and synthesized as part of a series of naphthalimide-aroyl hybrids with potent transketolase inhibitory and herbicidal activity. No specific IC50 value is publicly available. |
| ln Vivo |
In vivo herbicidal activity has been demonstrated for Transketolase-IN-3. As a herbicide candidate, the compound effectively suppresses Digitaria sanguinalis (DS) and Amaranthus retroflexus (AR). In field or greenhouse trials, Transketolase-IN-3 (at 0-90 g ai/ha) exhibits excellent postemergence herbicidal activity against DS and AR. At a concentration of 100 mg/L, it exhibits stronger inhibitory effects against these weed species compared to other analogs. The herbicidal activity is attributed to inhibition of transketolase, disrupting the pentose phosphate pathway in target plants. The compound was designed and synthesized following methods described in the literature (Wang YE, et al. J Agric Food Chem). For detailed in vivo efficacy data, refer to the original publication.
|
| 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-3 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-3. The compound was designed and synthesized following methods described in the literature (Wang YE, et al. J Agric Food Chem). For detailed protocols, refer to the original publication.
|
| Cell Assay |
No published cell-based assays for Transketolase-IN-3 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) 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-3 (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. No specific cellular data for Transketolase-IN-3 are publicly available.
|
| 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-3 is formulated as a sprayable solution (typically with surfactants and adjuvants) and applied post-emergence at varying rates (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 can be assessed in wheat and corn (maize) if applicable. At 100 mg/L, Transketolase-IN-3 exhibits stronger inhibitory effects against DS and AR. At application rates of 0-90 g/ha, it exhibits excellent postemergence herbicidal activity against DS and AR. The compound was designed and synthesized as a naphthalimide-aroyl hybrid. For detailed protocols, refer to the publication (Wang YE, et al. J Agric Food Chem).
|
| ADME/Pharmacokinetics |
No specific pharmacokinetic data for Transketolase-IN-3 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 25 mg/mL (61.92 mM) with ultrasonic and warming. Storage: 4degC, sealed storage, away from moisture and light. The compound belongs to the naphthalimide-aroyl hybrid class.
|
| Toxicity/Toxicokinetics |
No specific toxicity data for Transketolase-IN-3 in mammals. As a herbicide candidate, toxicological studies would be 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. The naphthalimide scaffold may raise concerns for genotoxicity, as some naphthalimides are DNA intercalators. For research use only; handle with standard laboratory precautions (gloves, lab coat, eye protection). Avoid release into the environment. Not for human use.
|
| References | |
| Additional Infomation |
Transketolase-IN-3 (CAS: 2757552-03-5) is a potent inhibitor of transketolase (TK), a key enzyme in the non-oxidative branch of the pentose phosphate pathway (PPP). The compound exhibits herbicidal activity against Digitaria sanguinalis (crabgrass) and Amaranthus retroflexus (redroot pigweed). It belongs to the naphthalimide-aroyl hybrid class of transketolase inhibitors. At 100 mg/L, Transketolase-IN-3 exhibits strong inhibitory effects against DS and AR. At application rates of 0-90 g/ha, it exhibits excellent postemergence herbicidal activity against DS and AR. The compound can be used for herbicide research. Molecular formula: C20H9ClF3NO3, molecular weight: 403.74. Solubility: DMSO 25 mg/mL (61.92 mM). Storage: 4degC, sealed storage, away from moisture and light. Not for human use. For research use only. Reference: Wang YE, et al. Design, Synthesis, and Herbicidal Activity of Naphthalimide-Aroyl Hybrids as Potent Transketolase Inhibitors. J Agric Food Chem.
|
| Molecular Formula |
C20H9CLF3NO3
|
|---|---|
| Molecular Weight |
403.74
|
| Exact Mass |
403.022
|
| CAS # |
2757552-03-5
|
| PubChem CID |
165437256
|
| Appearance |
White to light yellow solid powder
|
| LogP |
5.1
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
6
|
| Rotatable Bond Count |
1
|
| Heavy Atom Count |
28
|
| Complexity |
652
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O=C1N(C(C2=CC=CC3C=CC=C1C2=3)=O)C(C1C=CC(=CC=1Cl)C(F)(F)F)=O
|
| InChi Key |
MQJOKZYPUSULEI-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C20H9ClF3NO3/c21-15-9-11(20(22,23)24)7-8-12(15)17(26)25-18(27)13-5-1-3-10-4-2-6-14(16(10)13)19(25)28/h1-9H
|
| Chemical Name |
2-[2-chloro-4-(trifluoromethyl)benzoyl]benzo[de]isoquinoline-1,3-dione
|
| 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 (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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: 25 mg/mL (61.92 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 1.67 mg/mL (4.14 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 16.7 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 | 2.4768 mL | 12.3842 mL | 24.7684 mL | |
| 5 mM | 0.4954 mL | 2.4768 mL | 4.9537 mL | |
| 10 mM | 0.2477 mL | 1.2384 mL | 2.4768 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
