| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg | |||
| Other Sizes |
| 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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| Source |
Endogenously produced metabolite
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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) |
DMSO: ~200 mg/mL (~523.0 mM; with ultrasonication)
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| Solubility (In Vivo) |
Solubility in Formulation 1: 5 mg/mL (13.07 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), Clear solution; with ultrasonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of DMSO stock solution (50.0 mg/mL) to 900 μL of corn oil and mix well. (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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