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| Targets |
ITX-5061 primarily targets scavenger receptor class B type I (SR-BI), a cell surface receptor involved in cholesterol transport and HCV entry. By binding to SR-BI, ITX-5061 inhibits the receptor's function, preventing HCV from entering hepatocytes. The compound also modulates lipid metabolism by affecting SR-BI-mediated cholesterol uptake and efflux. Specific receptor binding data and IC50 values are not detailed in the provided search results.
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| ln Vitro |
In vitro, ITX-5061 inhibits HCV entry into hepatocytes by blocking the interaction between HCV and SR-BI. Its activity is assessed in cell-based assays using HCV pseudoparticles or infectious HCV cell culture systems. The compound demonstrates dose-dependent inhibition of HCV infection. Specific IC50 values for HCV inhibition are not detailed in the provided search results. ITX-5061 also affects SR-BI-mediated cholesterol transport in cell culture models.
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| ln Vivo |
ITX5061 is a scavenger receptor B1 (SR-B1) antagonist and a type II inhibitor of p38 MAPK. When mice were treated with ITX5061 (30 mg/kg/day), their HDL-C levels increased by 50% over baseline. When comparing HuAITg animals treated with ITX5061 to mice given a vehicle, ApoA-I levels were considerably but moderately elevated (+15%). While the computed productivity was the same in both groups (129±24 μg/day g)/d vs. 129±16 μg/g/d), ITX5061 significantly reduced HDL-CE catabolism with an FCR of 1.86±0.40 pools/day compared with 2.47±0.26 pools/day in the control group (P<0.05). Additionally, the accumulation of [3H]CE in the livers of mice treated with ITX5061 was dramatically decreased, suggesting that the reduction in hepatic absorption was the cause of the higher HDL-CE levels [1].
In vivo, ITX-5061 has been studied in clinical trials for the treatment of HCV infection. The compound's ability to inhibit HCV entry and its effects on lipid metabolism have been evaluated in patients. Specific efficacy data, dosing regimens, and clinical outcomes are not detailed in the provided search results. The compound has also been investigated for its potential in cardiovascular disease through modulation of lipid metabolism. |
| Enzyme Assay |
The in vitro activity of ITX-5061 is assessed using cell-based HCV entry assays. Huh-7 hepatoma cells or primary hepatocytes are infected with HCV pseudoparticles or infectious HCV in the presence of varying concentrations of ITX-5061. HCV infection is assessed by measuring luciferase activity (for pseudoparticles) or by qPCR for HCV RNA. The IC50 is determined from dose-response curves. For SR-BI binding studies, radioligand binding assays can be performed using SR-BI-expressing cells.
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| Cell Assay |
For cellular assays, hepatoma cell lines such as Huh-7 or primary human hepatocytes are cultured in appropriate media. Cells are treated with various concentrations of ITX-5061 (typically 0.01-10 μM) for 1-24 hours before and during HCV infection. HCV RNA levels are measured by qPCR, and the percentage inhibition is calculated. Cell viability is assessed using standard assays to ensure that observed effects are not due to cytotoxicity. SR-BI-mediated cholesterol uptake and efflux can be assessed using fluorescent or radiolabeled cholesterol.
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| Animal Protocol |
In vivo, ITX-5061 is administered orally to patients in clinical trials. Dosing regimens vary depending on the study design. Efficacy is assessed by measuring HCV RNA levels in patient plasma over time. Pharmacokinetic studies involve measurement of ITX-5061 plasma concentrations by LC-MS/MS. Lipid parameters (HDL, LDL, cholesterol) are also monitored to assess the compound's effects on lipid metabolism. Specific dosing and outcome data are not detailed in the provided search results.
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| ADME/Pharmacokinetics |
ITX-5061 HCl is a small molecule with specific physicochemical properties. The compound is administered orally in clinical studies. Specific pharmacokinetic parameters such as bioavailability, half-life, and volume of distribution are not detailed in the provided search results. The compound should be stored under appropriate conditions to maintain stability.
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| Toxicity/Toxicokinetics |
Specific toxicity data for ITX-5061 is not detailed in the provided search results. As a compound that modulates SR-BI function, it may affect cholesterol metabolism and potentially impact cardiovascular health. The compound has been evaluated in clinical trials for safety, but specific adverse effect profiles are not detailed in the provided search results. Comprehensive toxicological studies are required to establish its full safety profile.
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| References | |
| Additional Infomation |
KC706 is a novel anti-inflammatory drug that works by inhibiting the activity of p38 MAP kinase. KC706 has the potential to treat inflammatory diseases such as rheumatoid arthritis, psoriasis, inflammatory bowel disease, and cardiovascular disease.
Drug Indications It has been studied for the treatment of cardiovascular disease, inflammatory bowel disease, unspecified inflammatory diseases, psoriasis and psoriasis-related diseases, and rheumatoid arthritis. Mechanism of Action KC706 is a novel anti-inflammatory drug that works by inhibiting the activity of p38 MAP kinase. p38 MAP kinase is a key component of the signaling pathway that regulates the production of inflammatory mediators in the body, including TNFα and IL-1β. KC706 has been shown to have a genuine disease-modifying effect: it can prevent the fundamental pathological mechanism of rheumatoid arthritis—the destruction of joint tissues. Pharmacodynamics KC706 has been proven to have genuine disease-modifying effects: it can prevent the fundamental pathological mechanism of rheumatoid arthritis—the destruction of joint tissues. ITX-5061 is an investigational compound that was developed for the treatment of hepatitis C virus infection. It targets the SR-BI receptor, which is essential for HCV entry into hepatocytes. The compound has also been studied for its effects on lipid metabolism and potential applications in cardiovascular disease. Clinical development status is not detailed in the provided search results. ITX-5061 is available from chemical suppliers for research purposes. |
| Molecular Formula |
C30H38CLN3O7S
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|---|---|
| Molecular Weight |
620.21
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| Exact Mass |
619.212
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| CAS # |
1252679-52-9
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| Related CAS # |
1252679-52-9 (HCl);848144-15-0;
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| PubChem CID |
56843466
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| Appearance |
Light yellow to light brown solid powder
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| LogP |
6.593
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
11
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| Heavy Atom Count |
42
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| Complexity |
989
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
ICIJBYYMEBOTQP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C30H37N3O7S.ClH/c1-30(2,3)20-18-24(28(38-4)25(19-20)32-41(5,36)37)31-29(35)27(34)23-10-11-26(22-9-7-6-8-21(22)23)40-17-14-33-12-15-39-16-13-33;/h6-11,18-19,32H,12-17H2,1-5H3,(H,31,35);1H
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| Chemical Name |
N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-2-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-2-oxoacetamide;hydrochloride
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| Synonyms |
ITX-5061 HCl ITX5061
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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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture. |
| 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 : ≥ 83.3 mg/mL (~134.32 mM)
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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 | 1.6124 mL | 8.0618 mL | 16.1236 mL | |
| 5 mM | 0.3225 mL | 1.6124 mL | 3.2247 mL | |
| 10 mM | 0.1612 mL | 0.8062 mL | 1.6124 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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