| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| 50mg |
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| 100mg |
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| Other Sizes |
| Targets |
XY 018 targets RORγ (retinoic acid receptor-related orphan receptor gamma), a nuclear receptor involved in immune regulation and metabolism. As an antagonist, it inhibits RORγ activity, leading to suppression of androgen receptor expression in prostate cancer cells.
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| ln Vitro |
CRPC tumor C4-2B cells are inhibited in their growth and survival by XY018 (0.07-10 μM; 4 days) [1]. XY018, with an IC50 of 0.19±0.02 and 7.57 μM, respectively, suppresses both Gal4-RORγ-LBD and Gal4-RORα-LBD in 293 T cells [2]. Prostate cancer cell lines LNCaP, 22Rv1, C4-2B, DU145, and PC-3 exhibit anti-proliferative effects in response to XY018; the IC50 values are 5.14±0.36, 9.00±0.33, 9.20, 28.43±0.89, and 11.14±1.78 μM, respectively [2].
XY 018 is a RORγ antagonist with an EC50 of 190 nM. It suppresses androgen receptor expression in prostate cancer cell lines at micromolar concentrations. The compound inhibits proliferation of AR-positive prostate cancer cells. |
| ln Vivo |
Mice's CRPC tumor growth is inhibited by XY018 (5 mg/kg; intraperitoneal injection; 5 times per week for 23 days) [1]. In SD rats, XY018 (10 mg/kg orally or 2 mg/kg intravenously) shows acceptable pharmacokinetic properties [2].
XY 018 inhibits tumor growth in androgen receptor-positive xenograft models. It shows efficacy in preclinical models of prostate cancer, with reduction in tumor volume and androgen receptor levels. |
| Enzyme Assay |
The in vitro binding assay measures RORγ antagonism using a reporter gene assay. Cells expressing a RORγ-responsive luciferase are treated with compound, and inhibition of luciferase activity is measured to determine EC50.
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| Cell Assay |
Cell Viability Assay[1]
Cell Types: CRPC Tumor C4-2B Tested Concentrations: 0.07, 0.15, 0.31, 0.62, 1.25, 2.5, 5 and 10 μM Incubation Duration: 4 days Experimental Results: Inhibition of growth and survival. The in vitro cellular assay involves culturing prostate cancer cell lines and treating with compound. Androgen receptor expression is measured by Western blot and qPCR. Cell proliferation is assessed by MTT. |
| Animal Protocol |
Animal/Disease Models: Fourweeks old male SCID C.B17 mice (for C4-2B and VCaP) or BALB/c nu/nu athymic mice (for 22Rv1 and PC-3) [1]
Doses: 5 mg/kg administered Methods: intraperitonealtreatment (ip); five times a week for 23 days Experimental Results: Inhibition of tumor growth. Animal/Disease Models: Sprague Dawley rat[2] Doses: 10 mg/kg (oral; 1 mg/mL); 2 mg/kg (iv; 0.4 mg/mL) (pharmacokinetic/PK/PK analysis) Route of Administration: Oral ( 10 mg/kg) and intravenous (iv) (iv)injection (2 mg/kg); single dose Experimental Results: high plasma exposure AUC (0-∞) value is 6444 (μg/L·h), half-life (T1/2=7.67±2.36 h) and the maximum plasma concentration (Cmax) value was 839 (μg/L·h). L) 2 mg/kg iv after administration. Following oral administration, oral bioavailability is relatively low at 19%. In vivo studies use mouse xenografts of AR-positive prostate tumors. Mice are treated orally with XY 018, and tumor growth is monitored. Tumors are analyzed for AR expression and proliferation markers. |
| ADME/Pharmacokinetics |
XY 018 has a molecular weight of 385.42 g/mol and a molecular formula of C21H19N5O2. It is soluble in DMSO and stored at -20°C. Pharmacokinetic data indicate oral bioavailability suitable for in vivo efficacy.
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| Toxicity/Toxicokinetics |
Specific toxicology data are not available. The compound is for research use only. Safety studies would be needed before clinical use.
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| References |
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| Additional Infomation |
XY 018 is a RORγ antagonist with activity against prostate cancer. It is used in oncology research and is not yet in clinical trials.
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| Molecular Formula |
C23H15F7N2O4
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|---|---|
| Molecular Weight |
516.365030527115
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| Exact Mass |
516.092
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| CAS # |
1873358-87-2
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| PubChem CID |
130248006
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| Appearance |
White to off-white solid powder
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| LogP |
5.4
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
11
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
36
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| Complexity |
764
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1(CC(NC2=CC=C(C3=CC=C(C(O)(C(F)(F)F)C(F)(F)F)C=C3F)C=C2)=O)=CC=CC=C1[N+]([O-])=O
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| InChi Key |
MNVXADPCMINSEC-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H15F7N2O4/c24-18-12-15(21(34,22(25,26)27)23(28,29)30)7-10-17(18)13-5-8-16(9-6-13)31-20(33)11-14-3-1-2-4-19(14)32(35)36/h1-10,12,34H,11H2,(H,31,33)
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| Chemical Name |
N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]-2-(2-nitrophenyl)acetamide
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| Synonyms |
XY-018; XY018; XY 018
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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 (~193.66 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (4.84 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (4.84 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 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 | 1.9366 mL | 9.6830 mL | 19.3660 mL | |
| 5 mM | 0.3873 mL | 1.9366 mL | 3.8732 mL | |
| 10 mM | 0.1937 mL | 0.9683 mL | 1.9366 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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