| Size | Price | Stock | Qty |
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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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| Targets |
β-Glucuronidase-IN-1 targets E. coli bacterial β-glucuronidase, an enzyme that hydrolyzes glucuronides. Bacterial β-glucuronidase is responsible for the reactivation of certain drugs and toxins in the gut, contributing to drug toxicity and the development of colorectal cancer. By inhibiting β-glucuronidase, the compound reduces the reactivation of drugs and toxins in the gut. The compound is a noncompetitive, uncompetitive inhibitor with an IC50 of 283 nM and a Ki of 164 nM.
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| ln Vitro |
β-Glucuronidase-IN-1 (Inhibitor 1) (0.01-100 μM) suppresses the β-glucuronidase activity of E. coli in a dose-dependent manner with IC50 and Ki values of 283 nM and 164 nM, respectively [1]. β-Glucuronidase-IN-1 (100 μM; 24-72 hours) does not affect the development of bacterial cells in either aerobic or anaerobic settings while maintaining a strong efficacy in living bacterial cells (EC50=17.7 nM). won't destroy the epithelial cells in mammals[1].
β-Glucuronidase-IN-1 exhibits potent in vitro activity as a β-glucuronidase inhibitor. It has an IC50 of 283 nM and a Ki of 164 nM against E. coli β-glucuronidase. The compound is a selective inhibitor, targeting bacterial β-glucuronidase without affecting host enzymes. Its uncompetitive inhibition mechanism makes it a valuable tool for studying bacterial enzyme function. These in vitro activities confirm its potential as a therapeutic agent for reducing drug toxicity. |
| ln Vivo |
β-Glucuronidase-IN-1 (oral gavage; 10 μg; twice daily; 11 days) preserves the glandular structure of tract tissue in CPT-11-treated intestines and shields the mouse gastrointestinal epithelium from damage[1].
In vivo activity of β-Glucuronidase-IN-1 has been demonstrated in animal models. As an orally active compound, it can be administered conveniently. By inhibiting bacterial β-glucuronidase in the gut, the compound reduces the reactivation of drugs and toxins. This has potential applications in reducing the gastrointestinal toxicity of certain drugs, such as irinotecan. The compound’s oral bioavailability and selectivity make it a promising candidate for therapeutic development. |
| Enzyme Assay |
In vitro enzyme assays for β-Glucuronidase-IN-1 involve measuring its inhibition of β-glucuronidase activity. These assays typically use recombinant E. coli β-glucuronidase and a fluorogenic substrate (e.g., 4-methylumbelliferyl-β-D-glucuronide). The enzyme is incubated with the substrate and varying concentrations of the compound. The decrease in fluorescence is measured to determine the IC50 (283 nM) and Ki (164 nM). These assays confirm the compound’s mechanism as an uncompetitive inhibitor.
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| Cell Assay |
Cell Viability Assay[1]
Cell Types: CMT93, CaCO-2, HCT116 Cell Tested Concentrations: 100 μM Incubation Duration: 24 hrs (hours), 48 hrs (hours) and 72 hrs (hours) Experimental Results: Mammalian cell survival is not affected, any decrease in cell viability is attributed to presence of DMSO. In vitro cellular assays for β-Glucuronidase-IN-1 are conducted in bacterial cultures. E. coli is cultured and treated with varying concentrations of the compound. β-Glucuronidase activity is measured in bacterial lysates using a fluorogenic substrate. Bacterial growth is monitored to assess any potential antibacterial effects. These assays characterize the compound’s activity against bacterial β-glucuronidase. |
| Animal Protocol |
Animal/Disease Models: Healthy 6- to 8weeks old Balb/cJ mice [1]
Doses: 10 μg Route of Administration: po (oral gavage); twice a day; 11 days Experimental Results: Reduces the toxicity of mice caused by CPT-11. In vivo animal experiments with β-Glucuronidase-IN-1 are conducted in rodent models. The compound is administered orally, and β-glucuronidase activity is measured in fecal samples. Drug toxicity models, such as irinotecan-induced diarrhea, are used to assess the compound’s efficacy in reducing gastrointestinal toxicity. Endpoints include diarrhea severity, weight loss, and intestinal histopathology. These studies evaluate the compound’s therapeutic potential. |
| ADME/Pharmacokinetics |
β-Glucuronidase-IN-1 is an orally active compound with favorable pharmacokinetic properties. It has good oral bioavailability. The compound has a molecular weight of 425.54 and is soluble in DMSO. Its half-life and tissue distribution have been characterized in preclinical studies. The compound is typically stored at -20°C.
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| Toxicity/Toxicokinetics |
β-Glucuronidase-IN-1 has been evaluated for safety in preclinical studies. The compound is generally well-tolerated at therapeutic doses. Its selectivity for bacterial β-glucuronidase over host enzymes contributes to a favorable safety profile. The compound is intended for research use and is not approved for human therapeutic use. Standard laboratory safety precautions should be followed when handling this compound.
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| References | |
| Additional Infomation |
β-Glucuronidase-IN-1 is a potent, selective, uncompetitive, and orally active E. coli bacterial β-glucuronidase inhibitor. It has an IC50 of 283 nM and a Ki of 164 nM. The compound has potential applications in reducing the gastrointestinal toxicity of drugs such as irinotecan. It is also known as beta-Glucuronidase-IN-1. β-Glucuronidase-IN-1 is available in high purity for research applications. Its selectivity and oral bioavailability make it a valuable tool for studying bacterial enzyme function and drug toxicity.
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| Molecular Formula |
C23H27N3O3S
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| Molecular Weight |
425.544
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| Exact Mass |
425.177
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| CAS # |
484006-66-8
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| PubChem CID |
1134402
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| Appearance |
Light yellow to green yellow solid powder
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| LogP |
3
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
30
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| Complexity |
633
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1C=C(C)C=C2C=C(CN(CCO)C(=S)NC3C=CC(OCC)=CC=3)C(=O)NC=12
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| InChi Key |
PSKUPWXOVUAUJD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H27N3O3S/c1-4-29-20-7-5-19(6-8-20)24-23(30)26(9-10-27)14-18-13-17-12-15(2)11-16(3)21(17)25-22(18)28/h5-8,11-13,27H,4,9-10,14H2,1-3H3,(H,24,30)(H,25,28)
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| Chemical Name |
1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(4-ethoxyphenyl)-1-(2-hydroxyethyl)thiourea
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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 : ~100 mg/mL (~235.00 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.87 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: 2.5 mg/mL (5.87 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 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3500 mL | 11.7498 mL | 23.4996 mL | |
| 5 mM | 0.4700 mL | 2.3500 mL | 4.6999 mL | |
| 10 mM | 0.2350 mL | 1.1750 mL | 2.3500 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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