| 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 |
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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].
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| 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].
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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. |
| 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%. |
| References |
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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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