XY018
Based on 1 Customer Validation
XY018 is a potent ROR-γ-selective antagonist. XY018 inhibits ROR-γ constitutive activity in 293T cells with high potency (EC50, 190 nM). XY018 binds to the ROR-γ hydrophobic ligand binding domain (LBD).
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- Pureza: 99.68%
- No. CAS: 1873358-87-2
- Fòrmula: C23H15F7N2O4
- Peso molecular:516.37
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Almacenamiento:Powder -20°C, 3 years , 4°C, 2 years ; In solvent -80°C, 2 years , -20°C, 1 year
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Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Actividad biológica
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Chemical Information
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Solvente y solubilidad
- Pureza y Documentación
- Referencias
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Help & FAQs
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Immunology/Inflammation Compound Library
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HY-L090
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HY-L146
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Highly Selective Inhibitors Library
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High-Throughput Bioactive Compound Library
HY-L205
Actividad biológica
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ROR-γ 0.19 μM (IC50, in 293 T cells) |
ROR-α 7.57 μM (IC50, in 293 T cells) |
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Cell Line
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Type | Value | Description | References |
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| CWR22R | IC50 |
9 μM
Compound: 23; XY018
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Antiproliferative activity against human 22Rv1 cells measured after 96 hrs by celltiter-glo assay
Antiproliferative activity against human 22Rv1 cells measured after 96 hrs by celltiter-glo assay
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[PMID: 30964293] |
| DU-145 | IC50 |
28.43 μM
Compound: 23; XY018
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Antiproliferative activity against human DU145 cells measured after 72 hrs by celltiter-glo assay
Antiproliferative activity against human DU145 cells measured after 72 hrs by celltiter-glo assay
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[PMID: 30964293] |
| LNCaP | IC50 |
5.14 μM
Compound: 23; XY018
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Antiproliferative activity against human LNCAP cells measured after 96 hrs by celltiter-glo assay
Antiproliferative activity against human LNCAP cells measured after 96 hrs by celltiter-glo assay
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[PMID: 30964293] |
| LNCaP C4-2B | IC50 |
9.2 μM
Compound: 23; XY018
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Antiproliferative activity against human C4-2B cells measured after 96 hrs by celltiter-glo assay
Antiproliferative activity against human C4-2B cells measured after 96 hrs by celltiter-glo assay
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[PMID: 30964293] |
| PC-3 | IC50 |
11.14 μM
Compound: 23; XY018
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Antiproliferative activity against human PC3 cells measured after 72 hrs by celltiter-glo assay
Antiproliferative activity against human PC3 cells measured after 72 hrs by celltiter-glo assay
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[PMID: 30964293] |
XY018 (0.07-10 μM; 4 days) inhibit CRPC tumors C4-2B cells growth and survival[1].
XY018 inhibits Gal4-RORγ-LBD and Gal4-RORα-LBD with IC50s of 0.19±0.02 and 7.57 μM in 293 T cells, respectively[2].
XY018 shows anti-proliferation effects against the prostate cancer cell lines LNCaP, 22Rv1, C4-2B, DU145, and PC-3 with IC50s of 5.14±0.36, 9.00±0.33, 9.20, 28.43±0.89, and 11.14±1.78 μM, respectively[2].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Cell Line:CRPC tumors C4-2B
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Concentration:0.07, 0.15, 0.31, 0.62, 1.25, 2.5, 5, and 10 μM
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Incubation Time:4 days
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Result:Inhibited growth and survival.
XY018 (10 mg/kg orally or 2 mg/kg intravenously) exhibits reasonable pharmacokinetics profiles in SD rats[2].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
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Animal Model:Four-week-old male SCID C.B17 mice (for C4-2B and VCaP) or BALB/c nu/nu athymic mice (for 22Rv1 and PC-3)[1]
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Dosage:5 mg/kg
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Administration:Treated intraperitoneally (i.p.); five times per week for 23 days
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Result:Tumor growth inhibition.
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Animal Model:Sprague Dawley rats[2]
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Dosage:10 mg/kg (po; 1 mg/mL); 2 mg/kg (iv;0.4 mg/mL) (Pharmacokinetic Analysis)
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Administration:Orally administrated (10 mg/kg) and intravenously administrated (2 mg/kg); single dose
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Result:High plasma exposure AUC(0–∞) value of 6444 (μg/L·h), half-life (T1/2=7.67±2.36 h) and maximum plasma concentration (Cmax) value of 839 (μg/L) after a 2 mg/kg iv administration.
Demonstrated a relatively low oral bioavailability of 19% after an oral administration.
Chemical Information
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No. CAS 1873358-87-2
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Appearance Solid
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Peso molecular 516.37
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Fòrmula C23H15F7N2O4
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Color White to off-white
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SMILES
OC(C(F)(F)F)(C1=CC(F)=C(C(C=C2)=CC=C2NC(CC(C=CC=C3)=C3[N](=O)=O)=O)C=C1)C(F)(F)F
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Envío
Room temperature in continental US; may vary elsewhere.
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Almacenamiento
Powder -20°C 3 years 4°C 2 years In solvent -80°C 2 years -20°C 1 year
Solvente y solubilidad
DMSO : 100 mg/mL (193.66 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
Select the appropriate dissolution method based on your experimental animal and administration route.
- For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
- To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for In Vivo experiments, it is recommended to prepare freshly and use it on the same day.
- The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.
Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.5 mg/mL (4.84 mM); Clear solution
This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Please enter the basic information of animal experiments:
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Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
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%DMSO +
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
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%+
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+%Tween-80 + +
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%Saline +
The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).
Working solution concentration: 0.22 mg/mL
Method for preparing stock solution: mg drug dissolved in μL DMSO. Stock solution concentration: mg/mL.
1. Take μL DMSO stock solution;
2. Add μL .
μL , mix evenly;
3. Then add μL Tween 80, mix evenly;
4. Then add μL
Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.
Pureza y Documentación
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Ficha de datos (279 KB)
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SDS (251 KB)
- English - EN (251 KB)
- Français - FR (251 KB)
- Deutsch - DE (251 KB)
- Norwegian - NO (251 KB)
- Español - ES (251 KB)
- Swedish - SV (251 KB)
- Italian - IT (251 KB)
- Korean - KR (251 KB)
- Portuguese - PT (251 KB)
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Instrucciones de manejo (2659 KB)
Referencias
[1]. Junjian Wang, et al. ROR-γ Drives Androgen Receptor Expression and Represents a Therapeutic Target in Castration-Resistant Prostate Cancer. Nat Med. 2016 May;22(5):488-96. [Content Brief]
[2]. Yan Zhang, et al. Discovery and Characterization of XY101, a Potent, Selective, and Orally Bioavailable RORγ Inverse Agonist for Treatment of Castration-Resistant Prostate Cancer. J Med Chem. 2019 May 9;62(9):4716-4730. [Content Brief]
Complete Stock Solution Preparation Table
Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.
| Optional Solvent | Concentration Solvent Mass | 1 mg | 5 mg | 10 mg | 25 mg |
|---|---|---|---|---|---|
| DMSO | 1 mM | 1.9366 mL | 9.6830 mL | 19.3660 mL | 48.4149 mL |
| 5 mM | 0.3873 mL | 1.9366 mL | 3.8732 mL | 9.6830 mL | |
| 10 mM | 0.1937 mL | 0.9683 mL | 1.9366 mL | 4.8415 mL | |
| 15 mM | 0.1291 mL | 0.6455 mL | 1.2911 mL | 3.2277 mL | |
| 20 mM | 0.0968 mL | 0.4841 mL | 0.9683 mL | 2.4207 mL | |
| 25 mM | 0.0775 mL | 0.3873 mL | 0.7746 mL | 1.9366 mL | |
| 30 mM | 0.0646 mL | 0.3228 mL | 0.6455 mL | 1.6138 mL | |
| 40 mM | 0.0484 mL | 0.2421 mL | 0.4841 mL | 1.2104 mL | |
| 50 mM | 0.0387 mL | 0.1937 mL | 0.3873 mL | 0.9683 mL | |
| 60 mM | 0.0323 mL | 0.1614 mL | 0.3228 mL | 0.8069 mL | |
| 80 mM | 0.0242 mL | 0.1210 mL | 0.2421 mL | 0.6052 mL | |
| 100 mM | 0.0194 mL | 0.0968 mL | 0.1937 mL | 0.4841 mL |
XY018 Related Classifications
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