| Size | Price | Stock | Qty |
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| 10mg |
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| Targets |
Cisd2 agonist 1 targets CDGSH iron-sulfur structural domain 2 (CISD2), a protein involved in mitochondrial function and cellular iron-sulfur cluster metabolism. As a potent agonist with an EC50 of 34 nM, it binds to and activates CISD2, enhancing its expression. The compound's activation of CISD2 leads to improved pathological changes in fatty livers, suggesting that CISD2 plays a role in liver health and fatty liver disease. The compound's potential anticancer activity may be mediated through CISD2's role in cellular metabolism and survival pathways.
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| ln Vitro |
Cisd2 agonist 1 has been shown to enhance Cisd2 expression in vitro with an EC50 of 34 nM. The compound exhibits good metabolic stability in vitro. As a potent CISD2 agonist, it activates the CISD2 pathway and improves pathological changes in fatty livers in cellular models. These in vitro findings support its potential applications in NAFLD research and cancer research. Further studies are needed to fully characterize its mechanisms of action and spectrum of activity.
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| ln Vivo |
In vivo studies of Cisd2 agonist 1 have demonstrated its ability to improve pathological changes in fatty livers. The compound enhances Cisd2 expression in vivo, leading to beneficial effects on liver pathology. Its good metabolic stability supports its potential for in vivo efficacy. The compound can be used for research of non-alcoholic fatty liver disease (NAFLD). Its potential anticancer activity suggests possible applications in cancer models. Further research is needed to fully characterize its in vivo pharmacokinetic and pharmacodynamic properties.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays for Cisd2 agonist 1 typically involve testing its agonist activity at CISD2. EC50 values are determined from dose-response curves, with a reported EC50 of 34 nM. CISD2 activation is assessed by measuring downstream signaling or target gene expression. The compound's metabolic stability is evaluated using standard in vitro metabolic stability assays. For anticancer activity, cell viability assays are performed using cancer cell lines. All assays are performed with appropriate controls and standardized protocols to ensure reproducibility of results.
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| Cell Assay |
In vitro cell-based assays for Cisd2 agonist 1 involve culturing cells to evaluate its effects on CISD2 expression and activity. Cells are treated with varying concentrations of the compound (EC50: 34 nM) and CISD2 expression is measured by Western blotting or quantitative PCR. For NAFLD research, hepatocytes or liver cell lines are treated with the compound and markers of fatty liver pathology are assessed. For anticancer studies, cancer cell lines are treated and cell viability is assessed using MTT or similar colorimetric assays. Cell viability is assessed to ensure that observed effects are not due to cytotoxicity. All experiments are performed in triplicate with appropriate controls.
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| Animal Protocol |
In vivo animal experiments for Cisd2 agonist 1 utilize rodent models of non-alcoholic fatty liver disease (NAFLD). Animals are administered the compound and liver pathology is assessed. Parameters assessed include liver weight, hepatic lipid content, inflammatory markers, and histopathological examination of liver tissue. For anticancer studies, tumor-bearing animals would be treated and tumor growth monitored. Parameters assessed would include body weight, organ weights, and histopathology. Control groups receiving vehicle alone are included for comparison. All procedures comply with institutional animal care and use committee guidelines.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of Cisd2 agonist 1 reflect its nature as a small molecule agonist. It has a molecular weight of 308.33 and the molecular formula C14H13FN2O3S. The compound has good metabolic stability, which supports favorable pharmacokinetic properties. It is soluble in DMSO at 100 mg/mL (324.33 mM). The compound is stored at -20°C and is stable for ≥2 years. Complete pharmacokinetic profiling including half-life, clearance, volume of distribution, and bioavailability would require further systematic studies using appropriate analytical methods such as high-performance liquid chromatography-mass spectrometry.
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| Toxicity/Toxicokinetics |
The toxicity profile of Cisd2 agonist 1 has been evaluated in the context of its use as a research chemical. The compound has good metabolic stability, suggesting it may have a favorable safety profile. As a CISD2 agonist with potential anticancer activity, it may have biological effects that should be carefully evaluated. Proper handling procedures including use of personal protective equipment are recommended when working with pure compound. The compound is not approved for human therapeutic use and is intended for research purposes only. Long-term toxicity studies would be needed to fully establish its safety profile for pharmaceutical applications.
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| References |
[1]. Yao CH, et al. Discovery of tetrasubstituted thiophenes as Cisd2 activators: A potential novel therapeutic option in nonalcoholic fatty liver disease. Eur J Med Chem. 2023 Oct 5;258:115583.
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| Additional Infomation |
Cisd2 agonist 1 (CAS# 2916371-54-3) is also known as Compound 4q. It has the molecular formula C14H13FN2O3S and a molecular weight of 308.33. The compound has a purity of >98% (HPLC) and is soluble in DMSO at 100 mg/mL (324.33 mM). Cisd2 agonist 1 is a potent CISD2 agonist with an EC50 of 34 nM. It enhances Cisd2 expression and improves pathological changes in fatty livers. It has good metabolic stability and can be used for research of NAFLD. The compound has potential anticancer activity. It is intended for research use only.
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| Molecular Formula |
C14H13FN2O3S
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| Molecular Weight |
308.328025579453
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| Exact Mass |
308.063
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| CAS # |
2916371-54-3
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| PubChem CID |
167489009
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| Appearance |
Typically exists as solid at room temperature
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| LogP |
3.3
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
21
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| Complexity |
402
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S1C(=C(C(=O)OC)C(C)=C1C(NC1C=CC(=CC=1)F)=O)N
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| InChi Key |
QRCRHHUPIOWOOO-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C14H13FN2O3S/c1-7-10(14(19)20-2)12(16)21-11(7)13(18)17-9-5-3-8(15)4-6-9/h3-6H,16H2,1-2H3,(H,17,18)
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| Chemical Name |
methyl 2-amino-5-[(4-fluorophenyl)carbamoyl]-4-methylthiophene-3-carboxylate
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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 | 3.2433 mL | 16.2164 mL | 32.4328 mL | |
| 5 mM | 0.6487 mL | 3.2433 mL | 6.4866 mL | |
| 10 mM | 0.3243 mL | 1.6216 mL | 3.2433 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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