| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg | |||
| Other Sizes |
| Targets |
Glycerol-3-phosphate dehydrogenase 2 (GPD2). GPD2 is a key enzyme in glycerolipid metabolism, and its inhibition is being explored as a therapeutic strategy for certain cancers.
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|---|---|
| ln Vitro |
Numerous cancer cell lines are susceptible to the growth-inhibiting actions of KM04416 (20 µM; 48 hours) [1]. PNT1A cell growth is dramatically inhibited by KM04416 (10 µM; 72 hours) [1].
KM04416 (20 µM, 48 h) exhibits growth-inhibitory effects on various cancer cell lines. At 10 µM for 72 hours, it significantly reduces the proliferative capacity of PNT1A cells. As a GPD2 inhibitor, it disrupts metabolic pathways crucial for cancer cell survival and proliferation. |
| ln Vivo |
In vivo, KM04416 inhibits LUAD progression by modulating immune cell infiltration. This suggests that its antitumor activity is not solely cell-autonomous but also involves the modulation of the tumor immune microenvironment.
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| Enzyme Assay |
The inhibitory activity of KM04416 on GPD2 can be assessed using an in vitro enzyme activity assay. GPD2 enzyme is incubated with its substrate (dihydroxyacetone phosphate) and NADH in the presence of varying concentrations of the inhibitor. The decrease in NADH oxidation is measured spectrophotometrically to determine the IC50.
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| Cell Assay |
Cell Viability Assay[1]
Cell Types: Several cancer cell lines including MDA-MB-231 and AsPC-1 as well as Huh-7, HepG2, and SK-HEP-1 cells Tested Tested Concentrations: 20 µM Incubation Duration: 48 h Experimental Results: Had a growth inhibitory effect. Cell Proliferation Assay[2] Cell Types: PNT1A cell Tested Tested Concentrations: 10 µM Incubation Duration: 72 h Experimental Results: Dramatically inhibited PNT1A cell proliferation. To study its cellular effects, cell lines such as PNT1A or various cancer cell lines are treated with KM04416 (e.g., 10-20 µM for 48-72 hours). Cell proliferation is measured using assays like MTT or CellTiter-Glo. The impact on cell cycle and apoptosis can also be assessed via flow cytometry. |
| Animal Protocol |
The in vivo efficacy of KM04416 is evaluated in mouse models of cancer, such as xenografts or syngeneic models of lung adenocarcinoma. The compound is administered (route and dose depending on the study), and tumor growth is monitored. Immune cell infiltration into the tumor is analyzed via flow cytometry and immunohistochemistry.
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| ADME/Pharmacokinetics |
Specific pharmacokinetic data for KM04416 are not widely published. It is soluble in DMSO (50 mg/mL) and as a solid, it is stable under standard storage conditions. As a small molecule (MW 249.29), its ADME properties would require further investigation.
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| Toxicity/Toxicokinetics |
Specific toxicological data for KM04416 are not available in general references. As a research compound, it is not intended for human use. Standard laboratory safety precautions apply. Its safety profile would be established through dedicated toxicology studies.
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| References | |
| Additional Infomation |
Ethyl 4-(3-oxo-2,3-dihydroisothiazo-2-yl)benzoate is an organic molecular entity.
KM04416 is a research compound used to study the role of GPD2 in cancer metabolism and tumor immunity. It is a valuable tool for investigating metabolic vulnerabilities in cancer cells and for exploring GPD2 as a potential therapeutic target for diseases like lung adenocarcinoma. |
| Molecular Formula |
C12H11NO3S
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|---|---|
| Molecular Weight |
249.29
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| Exact Mass |
249.046
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| CAS # |
26530-26-7
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| PubChem CID |
4381769
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| Appearance |
White to off-white solid powder
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| LogP |
2.075
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
17
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| Complexity |
335
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CCOC(=O)C1=CC=C(C=C1)N2C(=O)C=CS2
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| InChi Key |
BZBRYBISKLKJCA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C12H11NO3S/c1-2-16-12(15)9-3-5-10(6-4-9)13-11(14)7-8-17-13/h3-8H,2H2,1H3
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| Chemical Name |
ethyl 4-(3-oxo-1,2-thiazol-2-yl)benzoate
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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) |
DMSO: 50 mg/mL (200.57 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (10.03 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 | 4.0114 mL | 20.0570 mL | 40.1139 mL | |
| 5 mM | 0.8023 mL | 4.0114 mL | 8.0228 mL | |
| 10 mM | 0.4011 mL | 2.0057 mL | 4.0114 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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