| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Targets |
SQLE-IN-1 targets squalene epoxidase (SQLE), a key enzyme in the cholesterol biosynthesis pathway that catalyzes the conversion of squalene to 2,3-oxidosqualene. By inhibiting SQLE, the compound disrupts cholesterol synthesis, leading to anti-tumor effects. The inhibition of SQLE results in increased expression of the tumor suppressor PTEN and suppression of PI3K and AKT signaling. The compound has demonstrated activity against hepatocellular carcinoma.
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| ln Vitro |
In vitro studies demonstrate that SQLE-IN-1 is a potent inhibitor of squalene epoxidase (SQLE). It inhibits the proliferation and migration of Huh7 hepatocellular carcinoma cells. The compound inhibits cellular cholesterol generation, increases the expression of the tumor suppressor gene PTEN, and suppresses PI3K and AKT protein expression. These activities contribute to its anti-tumor effects. The compound is supplied with high purity (>98%) for in vitro investigations.
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| ln Vivo |
In vivo activity of SQLE-IN-1 is inferred from its anti-tumor activity and mechanism of action as an SQLE inhibitor. By inhibiting cholesterol synthesis and modulating PTEN/PI3K/AKT signaling, the compound is expected to have anti-tumor efficacy in vivo. Detailed in vivo efficacy data from animal models, including tumor growth inhibition studies in hepatocellular carcinoma xenografts, are not extensively documented in the available literature.
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| Enzyme Assay |
The in vitro enzyme/receptor binding assay for SQLE-IN-1 involves measuring its inhibitory activity against squalene epoxidase (SQLE). The assay typically uses purified recombinant SQLE enzyme incubated with the compound at varying concentrations and the substrate squalene. Enzyme activity is measured by quantifying the conversion of squalene to 2,3-oxidosqualene using methods such as HPLC or mass spectrometry. IC50 values are determined by plotting percentage inhibition against compound concentration.
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| Cell Assay |
In vitro cell-based assays for SQLE-IN-1 are conducted using Huh7 hepatocellular carcinoma cells. Cells are treated with the compound at various concentrations, and cell proliferation is measured using MTT or CCK-8 assays. Cell migration is assessed using wound-healing or transwell assays. Cholesterol levels are quantified biochemically. PTEN, PI3K, and AKT protein expression and phosphorylation are assessed by Western blot. Cytotoxicity is evaluated using standard cell viability assays.
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| Animal Protocol |
In vivo animal studies for SQLE-IN-1 would typically be conducted using xenograft mouse models implanted with Huh7 hepatocellular carcinoma cells. Tumor-bearing mice would be administered the compound via appropriate routes, and tumor growth inhibition would be monitored. Cholesterol levels, PTEN expression, and PI3K/AKT signaling would be assessed in tumor tissues. Pharmacokinetic parameters would be determined from plasma samples. However, detailed protocols and efficacy data are not available from the search results.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of SQLE-IN-1 include a molecular weight of 481.52 and a molecular formula of C24H21F2N5O2S. The compound is supplied as a solid powder with purity >98%. Detailed pharmacokinetic parameters such as solubility, half-life, and bioavailability are not extensively documented in the available literature. The compound is intended for research use only.
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| Toxicity/Toxicokinetics |
Toxicity information for SQLE-IN-1 is limited. Standard safety precautions for handling research chemicals should be followed. The compound is designated for research use only and is not for human therapeutic applications. As an inhibitor of cholesterol synthesis, it may have effects on normal cellular processes that should be evaluated in appropriate toxicity studies. No detailed toxicity data are available from the search results.
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| References | |
| Additional Infomation |
SQLE-IN-1 (compound 19) is a squalene epoxidase (SQLE) inhibitor with anti-tumor activity. It inhibits proliferation and migration of Huh7 cells, inhibits cholesterol generation, increases PTEN expression, and suppresses PI3K/AKT signaling. It has a 2,4-difluorobenzenesulfonamide-pyrimidine scaffold with MW 481.52 and formula C24H21F2N5O2S. It is supplied with purity >98%.
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| Exact Mass |
481.138
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| CAS # |
1019169-83-5
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| PubChem CID |
46268175
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| Appearance |
White to light yellow solid powder
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
34
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| Complexity |
738
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=CC=C(C=C1)NC2=CC(=NC(=N2)C)NC3=CC=C(C=C3)NS(=O)(=O)C4=C(C=C(C=C4)F)F
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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) |
Typically soluble in DMSO (e.g. 10 mM)
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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.) |
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
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