| Size | Price | Stock | Qty |
|---|---|---|---|
| 100mg |
|
||
| 1g | |||
| Other Sizes |
| Targets |
HUN39963 targets glycolate oxidase, an enzyme that catalyzes the oxidation of glycolate to glyoxylate, producing hydrogen peroxide. Glycolate oxidase plays a role in the metabolism of glycolate and is involved in the glyoxylate pathway. Inhibition of glycolate oxidase is relevant to studies of oxalate synthesis and metabolic disorders. The compound is also referred to as LDH-IN-2.
|
|---|---|
| ln Vitro |
In Agxt1-/- primary hepatocytes, LDH-IN-2L (compound 34) (10 μM; 24 h) suppresses oxalate synthesis by 89%[1].
In Agxt1-/- primary hepatocytes, HUN39963 (LDH-IN-2, compound 34) at 10 μM for 24 hours suppresses oxalate synthesis by 89%. This demonstrates potent inhibition of glycolate oxidase activity in a cellular context relevant to primary hyperoxaluria and related metabolic disorders. The compound's ability to inhibit glycolate oxidase makes it a valuable tool for studying oxalate metabolism. |
| ln Vivo |
In vivo activity of HUN39963 has not been extensively reported in the available literature. The compound is primarily used as an in vitro research tool for studying glycolate oxidase inhibition and oxalate synthesis. Further in vivo studies would be required to evaluate its pharmacokinetics, efficacy, and therapeutic potential in animal models of metabolic disorders such as primary hyperoxaluria.
|
| Enzyme Assay |
Glycolate oxidase activity is measured using spectrophotometric assays. The enzyme catalyzes the oxidation of glycolate to glyoxylate with the production of hydrogen peroxide. Activity is monitored by coupling the reaction to horseradish peroxidase, which oxidizes a chromogenic substrate (e.g., Amplex Red or o-dianisidine). HUN39963 is incubated with glycolate oxidase at varying concentrations, and inhibition is calculated from the decrease in absorbance. IC50 values are determined from dose-response curves.
|
| Cell Assay |
Cellular activity of HUN39963 is evaluated in primary hepatocytes, such as Agxt1-/- primary hepatocytes, which model the metabolic defect in primary hyperoxaluria type I. Cells are treated with HUN39963 at 10 μM for 24 hours. Oxalate synthesis is measured by assessing oxalate production in the cell culture medium using enzymatic or chromatographic methods. The compound suppresses oxalate synthesis by 89% under these conditions.
|
| Animal Protocol |
In vivo evaluation of HUN39963 would typically involve mouse models of primary hyperoxaluria or other metabolic disorders. Mice would be administered HUN39963 orally or intraperitoneally at various doses. Urine and plasma samples would be collected to measure oxalate levels. Tissue glycolate oxidase activity would be assessed. Efficacy would be evaluated by measuring reduction in oxalate synthesis. Such studies have not been extensively reported for this compound.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties of HUN39963 have not been extensively characterized in the available literature. The compound has a molecular formula of C11H8O4 and a molecular weight of 204.18. It typically exists as a solid at room temperature. The compound is stored as powder at -20°C for up to 3 years. It may dissolve in DMSO for in vitro studies. Further pharmacokinetic characterization would be required for development.
|
| Toxicity/Toxicokinetics |
Toxicological data for HUN39963 are limited to research applications. The compound is for research use only and not intended for therapeutic use. As a glycolate oxidase inhibitor, toxicity would be evaluated in the context of the specific cell lines or animal models being studied. Comprehensive toxicology profiling would be required for clinical development.
|
| References | |
| Additional Infomation |
HUN39963 (LDH-IN-2) was first reported in the Journal of Medicinal Chemistry, 2018, 61(16): 7144-7167. It is also known as 5-(2-furanyl)-2-hydroxybenzoic acid. The compound is an inhibitor of glycolate oxidase and is used for research on oxalate synthesis and metabolic disorders. It does not yet have an official name. HUN39963 is a valuable tool for studying the role of glycolate oxidase in primary hyperaluria and related conditions.
|
| Molecular Formula |
C11H8O4
|
|---|---|
| Molecular Weight |
204.178823471069
|
| Exact Mass |
204.04
|
| Elemental Analysis |
C, 64.71; H, 3.95; O, 31.34
|
| CAS # |
893739-96-3
|
| PubChem CID |
20100073
|
| Appearance |
Typically exists as solid at room temperature
|
| LogP |
3.1
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
2
|
| Heavy Atom Count |
15
|
| Complexity |
241
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1=COC(=C1)C2=CC(=C(C=C2)O)C(=O)O
|
| InChi Key |
HLMCSUKQRLAWJT-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C11H8O4/c12-9-4-3-7(6-8(9)11(13)14)10-2-1-5-15-10/h1-6,12H,(H,13,14)
|
| Chemical Name |
Benzoic acid, 5-(2-furanyl)-2-hydroxy-
|
| Synonyms |
LDH-IN-2, HUN39963; HUN-39963; HUN 39963;
|
| 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 |
| 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) |
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
|
|---|---|
| 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 | 4.8976 mL | 24.4882 mL | 48.9764 mL | |
| 5 mM | 0.9795 mL | 4.8976 mL | 9.7953 mL | |
| 10 mM | 0.4898 mL | 2.4488 mL | 4.8976 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
