| Size | Price | Stock | Qty |
|---|---|---|---|
| 5mg |
|
||
| 10mg |
|
||
| 50mg |
|
||
| 100mg |
|
||
| Other Sizes |
| Targets |
IC50: 1.42 μM (ALR2) >100 μM (ALR1)[1]
The primary target of ALR2-IN-1 is aldehyde reductase 2 (ALR2), an enzyme that catalyzes the reduction of aldehydes to alcohols using NADPH as a cofactor. ALR2-IN-1 is a potent and selective inhibitor of ALR2 with an IC50 of 1.42 μM. By inhibiting ALR2, the compound may reduce the production of sorbitol and other toxic metabolites in the polyol pathway, which is implicated in the pathogenesis of diabetic complications. The compound also exhibits antioxidant and antiglycative properties. |
|---|---|
| ln Vitro |
In vitro, ALR2-IN-1 inhibits ALR2 with an IC50 of 1.42 μM. It is a potent and selective inhibitor of ALR2. The compound shows antioxidant and antiglycative properties. These in vitro activities suggest that ALR2-IN-1 may be useful for studying the role of ALR2 in diabetic complications and for developing potential therapeutic agents. ALR2-IN-1 has a molecular formula of C16H17N3O2S and a molecular weight of 315.39 g/mol.
|
| ln Vivo |
In vivo, ALR2-IN-1 may have potential therapeutic applications in the treatment of diabetic complications, such as neuropathy, nephropathy, and retinopathy. By inhibiting ALR2 and reducing the accumulation of sorbitol and other toxic metabolites, the compound could prevent or delay the progression of these complications. However, detailed in vivo efficacy and safety data are not extensively reported in the available literature, and its use is primarily limited to preclinical research settings. Further studies are needed to fully characterize its in vivo effects and therapeutic potential.
|
| Enzyme Assay |
In vitro assays for ALR2-IN-1 typically involve measuring its inhibition of ALR2 activity using recombinant ALR2 enzyme. The assay is performed in a suitable buffer system containing the substrate (e.g., DL-glyceraldehyde or other aldehydes) and the cofactor NADPH. Test compounds, including ALR2-IN-1, are added at various concentrations, and the decrease in NADPH absorbance is monitored spectrophotometrically at 340 nm. The IC50 value of 1.42 μM is calculated by fitting dose-response curves to the inhibition data. Selectivity assays against other related enzymes, such as aldose reductase, may also be performed.
|
| Cell Assay |
Cellular assays for ALR2-IN-1 typically use cell lines that express ALR2, such as those derived from tissues affected by diabetic complications (e.g., lens epithelial cells, renal cells, or neuronal cells). Cells are cultured in high-glucose medium to mimic diabetic conditions and are treated with ALR2-IN-1 at various concentrations. The compound's ability to reduce sorbitol accumulation and oxidative stress is assessed by measuring sorbitol levels and markers of oxidative damage. Cell viability and markers of inflammation may also be evaluated.
|
| Animal Protocol |
In vivo animal studies for ALR2-IN-1 would typically involve the administration of the compound to rodent models of diabetes, such as streptozotocin-induced diabetic rats or genetically diabetic mice. The compound could be administered via oral gavage or intraperitoneal injection. Following treatment, tissues such as the lens, retina, sciatic nerve, and kidney are collected to measure sorbitol levels, markers of oxidative stress, and histological changes. The compound's ability to prevent or reverse diabetic complications is assessed.
|
| ADME/Pharmacokinetics |
Pharmacokinetic data for ALR2-IN-1 are not extensively reported in the available literature. The compound has a molecular weight of 315.39 g/mol and a molecular formula of C16H17N3O2S. For research purposes, the compound is typically stored under recommended conditions as per the Certificate of Analysis. Detailed parameters such as half-life, volume of distribution, and bioavailability are not publicly available and would need to be determined experimentally.
|
| Toxicity/Toxicokinetics |
There is no specific toxicity data reported for ALR2-IN-1 in the available literature. As a research chemical intended for laboratory use only, it should be handled with standard safety precautions for handling chemical reagents. The compound is not approved for human therapeutic use. Researchers should consult the material safety data sheet (MSDS) for detailed safety and handling information. Any potential toxicity would need to be assessed through formal toxicological studies if the compound were to be developed further.
|
| References | |
| Additional Infomation |
ALR2-IN-1 is a potent and selective inhibitor of ALR2 with an IC50 of 1.42 μM. It has a molecular formula of C16H17N3O2S and a molecular weight of 315.39 g/mol. ALR2-IN-1 shows antioxidant and antiglycative properties. The compound can be used in diabetic complication research. By inhibiting ALR2, the compound may reduce the accumulation of sorbitol and other toxic metabolites in the polyol pathway.
|
| Molecular Formula |
C16H17N3O2S
|
|---|---|
| Molecular Weight |
315.390082120895
|
| Exact Mass |
315.104
|
| CAS # |
2799695-54-6
|
| PubChem CID |
164887504
|
| Appearance |
White to off-white solid powder
|
| LogP |
3.1
|
| Hydrogen Bond Donor Count |
3
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
4
|
| Heavy Atom Count |
22
|
| Complexity |
392
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
N(C(NC1=CC=CC(OC)=C1)=S)N=CC1=CC(C)=CC=C1O
|
| InChi Key |
YVXUMITTYYQGMP-LICLKQGHSA-N
|
| InChi Code |
InChI=1S/C16H17N3O2S/c1-11-6-7-15(20)12(8-11)10-17-19-16(22)18-13-4-3-5-14(9-13)21-2/h3-10,20H,1-2H3,(H2,18,19,22)/b17-10+
|
| Chemical Name |
1-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]-3-(3-methoxyphenyl)thiourea
|
| HS Tariff Code |
2934.99.9001
|
| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO: 100 mg/mL (317.07 mM)
|
|---|---|
| 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 | 3.1707 mL | 15.8534 mL | 31.7068 mL | |
| 5 mM | 0.6341 mL | 3.1707 mL | 6.3414 mL | |
| 10 mM | 0.3171 mL | 1.5853 mL | 3.1707 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
