| Size | Price | Stock | Qty |
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| 2mg |
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| 5mg |
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| 10mg |
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| 25mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
Mitochondrial permeability transition pore (mPTP) (potent inhibitor, IC50 = 2.8 μM). Mechanism is CypD-independent.
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| ln Vitro |
Small and nontoxic, ER-000444793 is a mPTP inhibitor with a mechanism of action that is not dependent on CypD inhibition. ER-000444793 binds CypD, a CsA/CypD homogeneous time-resolved fluorescence (HTRF) assay used to study compound binding. ER-000444793 potently and dose-dependently inhibits Ca2+-induced mPT. The displacement of tagged CsA from the rhCypD protein was indicated by the dose-dependent reduction of the HTRF signal by both CsA and SfA (CsA IC50 = 23 nM and SfA IC50 = 5 nM). Conversely, at concentrations as high as 50 μM, ER-000444793 had no effect, suggesting that labeled CsA was not displaced from the rhCypD protein. When considered collectively, these findings suggest that ER-000444793 delays mPT through a mechanism unrelated to CypD function inhibition [1].
In vitro, ER-000444793 is a potent inhibitor of mitochondrial permeability transition pore (mPTP) opening with an IC50 of 2.8 μM. It is a small molecule and non-toxic mPTP inhibitor with a CypD-independent mechanism. It has been developed to target specific genetic mutations in cancer cells, particularly those with KRAS mutations. |
| ln Vivo |
No detailed in vivo activity data is publicly available for ER-000444793. As an mPTP inhibitor, it may have potential for in vivo studies in cancer and mitochondrial diseases, but specific animal model data has not been reported in available literature.
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| Enzyme Assay |
No specific cell-free mPTP assay protocol is detailed for ER-000444793. For mPTP inhibitors, typical cell-free assays include mitochondrial swelling assays using isolated mitochondria, calcium-induced mPTP opening measurements, and cyclophilin D binding assays.
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| Cell Assay |
Mitochondrial permeability transition is assessed in isolated mitochondria or in cells. Mitochondria are isolated from tissues, treated with ER-000444793, and mPTP opening is induced by calcium. Mitochondrial swelling is measured spectrophotometrically, or membrane potential is assessed using fluorescent dyes (e.g., JC-1, TMRM). IC50 values are calculated from dose-response curves.
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| Animal Protocol |
No in vivo animal experimental protocol is publicly available for ER-000444793. For similar mPTP inhibitors, typical in vivo studies involve administration in rodent models of ischemia-reperfusion injury, neurodegenerative diseases, or cancer.
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| ADME/Pharmacokinetics |
Molecular weight: 354.40 g/mol; molecular formula: C23H18N2O2. CAS No.: 792957-74-5. Chemical name: N-(2-benzylphenyl)-2-oxo-1,2-dihydroquinoline-4-carboxamide. Purity: typically ≥98%. Storage: typical for small-molecule compounds (desiccated, protected from light).
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| Toxicity/Toxicokinetics |
ER-000444793 is reported to be a non-toxic mPTP inhibitor. No detailed toxicity data is publicly available. Standard toxicological studies would be required for further development.
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| References | |
| Additional Infomation |
ER-000444793 is a research-grade compound, not approved for therapeutic use. It is primarily used as a pharmacological tool for studying mitochondrial permeability transition, mitochondrial metabolism, and cancer biology. No clinical trials have been reported. Its mechanism involves CypD-independent inhibition of mPTP opening.
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| Molecular Formula |
C23H18N2O2
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|---|---|
| Molecular Weight |
354.401225566864
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| Exact Mass |
354.136
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| CAS # |
792957-74-5
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| PubChem CID |
2547533
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
3.8
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
27
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| Complexity |
579
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O=C1NC2C(=CC=CC=2)C(C(NC2C(CC3C=CC=CC=3)=CC=CC=2)=O)=C1
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| InChi Key |
OIZPRRGJIHYZAY-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H18N2O2/c26-22-15-19(18-11-5-7-13-21(18)24-22)23(27)25-20-12-6-4-10-17(20)14-16-8-2-1-3-9-16/h1-13,15H,14H2,(H,24,26)(H,25,27)
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| Chemical Name |
N-(2-benzylphenyl)-2-oxo-1H-quinoline-4-carboxamide
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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 (~141.08 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.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.8217 mL | 14.1084 mL | 28.2167 mL | |
| 5 mM | 0.5643 mL | 2.8217 mL | 5.6433 mL | |
| 10 mM | 0.2822 mL | 1.4108 mL | 2.8217 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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