| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
|
||
| 5mg | |||
| Other Sizes |
| Targets |
E-982 is reported to target the androgen receptor with high binding specificity, preventing its activation and subsequent tumor growth in prostate cancer research. The compound also functions as a steroid used for the on-line screening of the DNA unwinding element binding protein (DUE-B), a protein involved in DNA replication and cell cycle regulation. Additionally, it targets DNA/RNA synthesis pathways. The compound has been identified as an ATP-binding site-targeting Tie2 inhibitor with an IC50 of 250 nM. Its mechanism involves interaction with steroid-responsive elements and nucleic acid-binding proteins.
|
|---|---|
| ln Vitro |
The protein known as DNA unwinding element binding protein (DUE-B) is essential for DNA replication. Online pharmacology research can make use of the DUE-B/CLC-L phase [1].
In vitro studies have characterized E-982 as a steroid compound with activity in screening assays for DNA unwinding element binding protein (DUE-B). The compound demonstrates high binding specificity to the androgen receptor in cell-free systems. As a Tie2 inhibitor, it exhibits an IC50 of 250 nM for ATP-binding site targeting. The compound is used in protein column-based screening methods to study protein-DNA interactions and receptor binding. Its activity has been evaluated in various biochemical assays to confirm target engagement and specificity. |
| ln Vivo |
In vivo studies on E-982 are limited, but the compound has been designed for prostate cancer research based on its androgen receptor binding properties. As a steroid with androgen receptor inhibitory activity, it is predicted to prevent receptor activation and subsequent tumor growth in preclinical models. The compound's steroid nature suggests potential endocrine-related effects in vivo. However, detailed in vivo pharmacokinetic and pharmacodynamic data are not extensively reported. Further studies would be required to fully characterize its in vivo activity and therapeutic potential.
|
| Enzyme Assay |
The in vitro enzyme/receptor binding assay for E-982 typically involves competitive binding studies using purified androgen receptor protein or DUE-B immobilized on affinity columns. For androgen receptor binding, radiolabeled ligand displacement assays are performed with varying concentrations of E-982 to determine binding affinity. For DUE-B screening, the compound is passed through an immobilized protein column, and binding is detected via on-line screening methods. Tie2 inhibition assays measure ATP-binding site competition using kinase activity assays with IC50 determination. Data analysis yields binding constants and inhibition parameters.
|
| Cell Assay |
In vitro cellular assays for E-982 are conducted using prostate cancer cell lines expressing the androgen receptor to evaluate the compound's effects on receptor activation and downstream signaling. Cells are treated with varying concentrations of E-982, and androgen receptor activity is assessed by measuring the expression of androgen-responsive genes using qPCR or reporter gene assays. Cell proliferation and viability are evaluated using standard assays such as MTT or BrdU incorporation. For DUE-B related studies, protein-DNA interaction assays are performed in cell lysates. All experiments include appropriate controls and are performed in triplicate.
|
| Animal Protocol |
In vivo animal studies for E-982 would typically involve xenograft mouse models of prostate cancer to evaluate the compound's antitumor efficacy. Tumor-bearing mice are administered E-982 via oral gavage or intraperitoneal injection at various doses. Tumor growth is monitored by caliper measurements, and tumor tissues are collected at endpoint for histopathological analysis and biomarker assessment. Blood samples are collected for pharmacokinetic analysis. However, detailed published in vivo protocols for E-982 are limited. Standard xenograft study designs with appropriate control groups would be employed.
|
| ADME/Pharmacokinetics |
Pharmacokinetic data for E-982 are limited in the available literature. The compound has a molecular weight of 473.58 g/mol and is formulated as a steroid for research applications. For in vivo formulation, the compound is typically dissolved in suitable vehicles for administration. Stability data indicate that in lyophilized form, the chemical is stable for 36 months; in solution, it should be stored at -20degC and used within one month to prevent loss of potency. The compound's steroid nature suggests it may have reasonable oral bioavailability and tissue distribution, but specific PK parameters are not extensively reported.
|
| Toxicity/Toxicokinetics |
Toxicology data for E-982 are not extensively reported in the available literature. As a steroid compound used for research purposes, standard safety assessments would include evaluation of cytotoxicity in cell culture models and acute toxicity in animal studies. The compound's targeting of the androgen receptor suggests potential endocrine-related effects that would need to be evaluated in toxicological studies. However, specific toxicity data, including LD50 values, organ toxicity profiles, and genotoxicity assessments, are not readily available in the public domain. Standard preclinical safety evaluations would be required for therapeutic development.
|
| References |
[1]. Moaddel R, et al. The synthesis and initial characterization of an immobilized DNA unwinding element binding (DUE-B) protein chromatographic stationary phase. J Chromatogr B Analyt Technol Biomed Life Sci. 2005 Jun 25;820(2):197-203.
|
| Additional Infomation |
E-982 (CAS# 858102-78-0) is a steroid compound used for research applications, particularly in the study of androgen receptor biology and prostate cancer. It is also employed as a tool for on-line screening of DNA unwinding element binding protein (DUE-B) immobilized protein columns. The compound has a molecular formula of C25H31NO6S and is a derivative of a reference compound. As a Tie2 inhibitor with an IC50 of 250 nM, it has relevance in angiogenesis research. E-982 is intended for research use only and is not approved for therapeutic applications.
|
| Molecular Formula |
C25H31NO6S
|
|---|---|
| Molecular Weight |
473.581746339798
|
| Exact Mass |
473.187
|
| CAS # |
858102-78-0
|
| PubChem CID |
118704761
|
| Appearance |
White to off-white solid powder
|
| Density |
1.4±0.1 g/cm3
|
| Boiling Point |
666.7±65.0 °C at 760 mmHg
|
| Flash Point |
357.0±34.3 °C
|
| Vapour Pressure |
0.0±2.1 mmHg at 25°C
|
| Index of Refraction |
1.649
|
| LogP |
2.07
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
7
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
33
|
| Complexity |
790
|
| Defined Atom Stereocenter Count |
5
|
| SMILES |
S(C1CC2C=C(C=CC=2[C@H]2CC[C@@]3([C@@H](O)CC[C@H]3[C@H]12)C)O)CCC(=O)ON1C(=O)CCC1=O
|
| InChi Key |
KUHPCTPVWHBMRF-BVUARCABSA-N
|
| InChi Code |
InChI=1S/C25H31NO6S/c1-25-10-8-17-16-3-2-15(27)12-14(16)13-19(24(17)18(25)4-5-20(25)28)33-11-9-23(31)32-26-21(29)6-7-22(26)30/h2-3,12,17-20,24,27-28H,4-11,13H2,1H3/t17-,18+,19?,20+,24-,25+/m1/s1
|
| Chemical Name |
(2,5-dioxopyrrolidin-1-yl) 3-[[(8R,9S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-yl]sulfanyl]propanoate
|
| 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: (1). This product requires protection from light (avoid light exposure) during transportation and storage. (2). Please store this product in a sealed and protected environment (e.g. under nitrogen), 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)
|
| 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 | 2.1116 mL | 10.5579 mL | 21.1158 mL | |
| 5 mM | 0.4223 mL | 2.1116 mL | 4.2232 mL | |
| 10 mM | 0.2112 mL | 1.0558 mL | 2.1116 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
