| Size | Price | Stock | Qty |
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| Targets |
NADH-IN-1 targets NADH:ubiquinone oxidoreductase (complex I), a key enzyme in the mitochondrial electron transport chain. By inhibiting this enzyme, NADH-IN-1 modulates mitochondrial function and cellular energy metabolism. It effectively stimulates glucose uptake in vitro, suggesting a role in metabolic regulation.
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| ln Vitro |
In vitro, NADH-IN-1 has inhibitory activity against NADH:ubiquinone oxidoreductase with an IC₅₀ of 27 μM. It can effectively stimulate glucose uptake in vitro. The compound is readily metabolized by the liver. It may have potential therapeutic effects in conditions related to mitochondrial dysfunction and metabolic disorders.
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| ln Vivo |
The short half-life and rapid intrinsic clearance of NADH-IN-1 (1 μM) suggest that the liver can metabolize it easily in vivo. Additionally, it doesn't have any negative effects on primary rat hepatocytes and doesn't inhibit hERG channels [1]. NADH-IN-1 (10 mg/kg; IV or PO; single dose) has a short half-life, high plasma clearance, a high binding of mouse and human serum proteins, and a moderate bioavailability. It also has no discernible toxic effects at 10 mg/kg IV or PO [1].
In vivo, NADH-IN-1 can be used for diabetes research. It is readily metabolized by the liver. The compound is being investigated for its potential therapeutic effects in conditions related to mitochondrial dysfunction, metabolic disorders, and neurodegenerative diseases. |
| Enzyme Assay |
NADH-IN-1's enzyme inhibition activity has been characterized using biochemical assays with purified NADH:ubiquinone oxidoreductase or mitochondrial preparations. The compound inhibits the enzyme with an IC₅₀ of 27 μM. Activity is typically measured by monitoring NADH oxidation spectrophotometrically.
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| Cell Assay |
In vitro cell experiments with NADH-IN-1 involve treating cells with the compound and assessing its effects on glucose uptake, mitochondrial function, and cellular metabolism. Glucose uptake is measured using radiolabeled glucose or fluorescent glucose analogs.
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| Animal Protocol |
Animal/Disease Models: Male C57BL/6 mice[1]
Doses: 10 mg/kg Route of Administration: intravenous (iv) (iv)injection or oral administration; single dose (pharmacokinetic/PK/PK analysis) Experimental Results: No toxic effects were produced when intravenous (iv) (iv)injection or oral administration of 10 mg/kg Observed toxic effects; exhibits a short half-life of 0.45 hrs (hrs (hours)) and high plasma clearance; exhibits high mouse and human serum protein binding and moderate bioavailability (21.4%). In vivo animal studies with NADH-IN-1 have been conducted using models of diabetes and metabolic disorders. The compound is typically administered via oral gavage or injection. Detailed protocols regarding dosage, treatment duration, and specific animal models are not extensively reported. |
| ADME/Pharmacokinetics |
NADH-IN-1 is readily metabolized by the liver. As a small molecule with a molecular weight of 284.31 g/mol, the compound is expected to have reasonable oral bioavailability. Further pharmacokinetic studies are needed to fully characterize its absorption, distribution, metabolism, and excretion properties.
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| Toxicity/Toxicokinetics |
NADH-IN-1 is considered safe for research use at typical concentrations. As a research compound, it is intended for laboratory use only and not for human consumption. The compound should be handled under standard laboratory safety practices with appropriate precautions.
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| References | |
| Additional Infomation |
NADH-IN-1 has inhibitory activity against NADH:ubiquinone oxidoreductase with an IC₅₀ of 27 μM. It effectively stimulates glucose uptake in vitro. It is readily metabolized by the liver and can be used for diabetes research. It is being investigated for conditions related to mitochondrial dysfunction and metabolic disorders.
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| Molecular Formula |
C19H21F3N2OS
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|---|---|
| Molecular Weight |
382.44
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| Exact Mass |
382.132
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| CAS # |
1432445-15-2
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| PubChem CID |
71519596
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| Appearance |
White to off-white solid powder
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| LogP |
4.2
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
6
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
26
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| Complexity |
458
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(N1CCN(C2C=CC(=CC=2)C(F)(F)F)CC1)(=O)CCCC1SC=CC=1
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| InChi Key |
KJARPKCKZJCRAS-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C19H21F3N2OS/c20-19(21,22)15-6-8-16(9-7-15)23-10-12-24(13-11-23)18(25)5-1-3-17-4-2-14-26-17/h2,4,6-9,14H,1,3,5,10-13H2
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| Chemical Name |
4-thiophen-2-yl-1-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one
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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 | 2.6148 mL | 13.0739 mL | 26.1479 mL | |
| 5 mM | 0.5230 mL | 2.6148 mL | 5.2296 mL | |
| 10 mM | 0.2615 mL | 1.3074 mL | 2.6148 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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