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| Targets |
LeDSF3 targets the PI3K/AKT signaling pathway, down-regulating phosphorylated AKT (p-AKT). By inhibiting AKT phosphorylation, it promotes apoptosis through the activation of caspase-3. The compound's anti-cancer activity is mediated through the induction of apoptosis in various human cancer and tumor cell types. In addition to its anti-cancer activity, LeDSF3 regulates the biosynthesis of the antifungal compound HSAF in Lysobacter enzymogenes, suggesting it may also interact with bacterial regulatory pathways.
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| ln Vitro |
13-Methyltetradecanoic acid (13-MTD; 0-140 μg/mL; 12-24 hours) induces apoptosis in human bladder cancer cells, inhibiting their viability and growth [1]. When cells were treated with 70 μg/mL with 13-methyltetradecanoic acid (13-MTD) for two to four days, there was a notable increase in the amount of sub-G1 DNA content in a time-dependent manner. Within 48 hours, the proportion of sub-G1 DNA content increased from 9.25% to 85.3%[1]. Lowering Bcl-2 and increasing Bax, 13-Methyltetradecanoic acid (13-MTD; 70 μg/mL; 2–24 hours) does both. This encourages malfunction of the mitochondria, which releases cytochrome c into the cytoplasm and triggers the proteolytic activation of caspases. 13-Methyltetradecanoic acid stimulates the phosphorylation of p38 and c-Jun N-terminal kinase (JNK) while downregulating the phosphorylation of AKT [1].
In vitro, LeDSF3 causes apoptosis in a variety of types of human cancer and tumor cells. It down-regulates p-AKT and activates caspase-3, indicating the induction of the apoptotic pathway. The compound's anti-cancer activity is confirmed through cell viability and apoptosis assays in various cancer cell lines. It also functions as a regulator of HSAF biosynthesis in Lysobacter enzymogenes, demonstrating antifungal properties. Detailed IC₅₀ values for cell growth inhibition are not extensively reported in the available literature. |
| ln Vivo |
In xenograft models, 13-Methyltetradecanoic acid (13-MTD; 70 mg/kg/day; oral gavage; daily; for 30 days) suppresses tumor growth considerably [2].
Detailed in vivo activity data for LeDSF3 are not extensively reported in the available literature. As a fatty acid with anti-cancer activities, it is expected to have potential for in vivo efficacy in tumor models. The compound's ability to induce apoptosis through p-AKT down-regulation and caspase-3 activation suggests it could be effective in inhibiting tumor growth in vivo. However, specific in vivo efficacy data from animal studies are not provided in the available sources. |
| Enzyme Assay |
Non-cell-based assays for LeDSF3 are not typical, as its mechanism involves modulation of cellular signaling pathways rather than direct enzyme inhibition. However, AKT kinase activity assays could be performed using purified AKT enzyme to assess direct inhibition. The compound's effects on caspase-3 activation could be measured in cell-free systems using fluorogenic caspase substrates. For its antifungal regulatory activity, bacterial culture assays would be more appropriate.
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| Cell Assay |
Cell viability assay[1]
Cell Types: Bladder cancer cell lines T24, 5637 and UM-UC-3 Tested Concentrations: 0 μg/mL, 35 μg/mL, 70 μg/mL, 105 μg/mL and 140 μg/mL Incubation Duration: 12 hrs (hours), 24 hrs (hours) Experimental Results: Inhibited cell viability in a dose- and time-dependent manner. Cell cycle analysis[1] Cell Types: Bladder cancer cell lines T24, 5637 and UM-UC-3 Tested Concentrations: 70 μg/mL Incubation Duration: 2 hrs (hours), 8 hrs (hours), 24 hrs (hours) or 48 hrs (hours) Experimental Results: Result in significant accumulation with sub- G1 DNA content of cells in a time-dependent manner. Western Blot Analysis[1] Cell Types: T24, 5637 and UM-UC-3 Cell Tested Concentrations: 70 μg/mL Incubation Duration: 2 hrs (hours), 8 hrs (hours), 24 hrs (hours) Experimental Results: Bcl-2 down-regulated and Bax up-regulated, and AKT phosphate down-regulated Phosphorylate and activate p38 and c-Jun N-terminal kinase (JNK) phosphorylation. Cellular assays for LeDSF3 are performed using various human cancer cell lines. Cells are treated with the compound at various concentrations for specified durations. Cell viability is assessed using standard assays such as MTT, CCK-8, or CellTiter-Glo. Apoptosis is evaluated using Annexin V/PI staining, caspase-3 activity assays, and Western blotting for cleaved PARP and activated caspase-3. AKT phosphorylation (p-AKT) and total AKT levels are measured by Western blotting to confirm down-regulation of p-AKT. |
| Animal Protocol |
Animal/Disease Models: BALB/C nude mice injected with Jurkat lymphoma cells [2]
Doses: 70 mg/kg/day Route of Administration: po (oral gavage); daily; 30-day Experimental Results: Effectively inhibited the growth of xenograft models in vivo. In vivo animal models for LeDSF3 would be required to assess its therapeutic potential. Based on its mechanism as an inducer of apoptosis through p-AKT down-regulation, relevant models could include xenograft studies in immunodeficient mice bearing human cancer cell lines. The compound would be administered via appropriate routes (e.g., oral gavage or intraperitoneal injection) at various doses. Tumor growth inhibition would be monitored over time. Pharmacodynamic markers such as p-AKT levels and caspase-3 activation in tumor tissues would be assessed. |
| ADME/Pharmacokinetics |
LeDSF3 has a molecular weight of 242.4 g/mol and a molecular formula of C₁₅H₃₀O₂. CAS number is 2485-71-4. The compound is a white to off-white solid powder. Melting point is 50.2°C. Boiling point is 189°C at 12 Torr. Density is 0.894 g/cm³. It is soluble in chloroform, ethanol, and ether, but insoluble in water. Storage conditions: -20°C. Purity is typically ≥98%.
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| Toxicity/Toxicokinetics |
LeDSF3 is a fatty acid with a generally recognized safety profile, but detailed toxicological data are not extensively reported. As a research compound, its safety profile would need to be established through standard preclinical toxicity assessments. The compound is supplied for research use only and is not for human consumption. Standard laboratory safety precautions should be followed when handling the compound.
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| References |
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| Additional Infomation |
Isopentadecanoic acid (13-methyltetradecanoic acid) is a branched-chain saturated fatty acid formed by replacing the methyl group at the 13-position of tetradecanoic acid (myristic acid). It is a long-chain fatty acid, a branched-chain saturated fatty acid, and a methyl-branched-chain fatty acid; it is also the conjugate acid of isopentadecanoic acid. 13-Methyltetradecanoic acid has been reported to exist in Streptomyces manipurensis, Chondrosia reniformis, and other organisms with relevant data.
LeDSF3 is also known as 13-methyltetradecanoic acid and 13-MTD. It is a saturated branched-chain fatty acid with potent anti-cancer activities. The compound causes apoptosis in a variety of human cancer and tumor cells by down-regulating p-AKT and activating caspase-3. It also functions as a regulator of HSAF biosynthesis in Lysobacter enzymogenes, giving it antifungal properties. LeDSF3 is used in research applications studying cancer biology and apoptosis. It is for research use only. |
| Molecular Formula |
C15H30O2
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|---|---|
| Molecular Weight |
242.3975
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| Exact Mass |
242.225
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| CAS # |
2485-71-4
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| PubChem CID |
151014
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| Appearance |
White to off-white solid powder
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| Density |
0.894 g/cm3
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| Boiling Point |
355.5ºC at 760 mmHg
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| Flash Point |
197.4ºC
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| Vapour Pressure |
5.19E-06mmHg at 25°C
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| Index of Refraction |
1.451
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| LogP |
5.018
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
12
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| Heavy Atom Count |
17
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| Complexity |
176
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
ZOCYQVNGROEVLU-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C15H30O2/c1-14(2)12-10-8-6-4-3-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
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| Chemical Name |
13-methyltetradecanoic acid
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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 | 4.1254 mL | 20.6271 mL | 41.2541 mL | |
| 5 mM | 0.8251 mL | 4.1254 mL | 8.2508 mL | |
| 10 mM | 0.4125 mL | 2.0627 mL | 4.1254 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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