(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide

• ChemBase编号: 72566
• 分子式: C19H14F3N3O3
• 平均质量: 389.3279696
• 单一同位素质量: 389.09872598
• SMILES: C(=O)([C@@](COc1ccc(cc1)C#N)(C)O)Nc1cc(c(cc1)C#N)C(F)(F)F
• Canonical SMILES: N#Cc1ccc(cc1)OC[C@@](C(=O)Nc1ccc(c(c1)C(F)(F)F)C#N)(O)C
• InChI: InChI=1S/C19H14F3N3O3/c1-18(27,11-28-15-6-2-12(9-23)3-7-15)17(26)25-14-5-4-13(10-24)16(8-14)19(20,21)22/h2-8,27H,11H2,1H3,(H,25,26)/t18-/m0/s1
• InChIKey: JNGVJMBLXIUVRD-SFHVURJKSA-N

名称和登记号

名称

• IUPAC标准名: (2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide
• IUPAC传统名: (2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide
• 别名: (2S)-3-(4-Cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide; (S)-N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide; OstarineNOT FOR SALE-PATENTED; MK-2866; Ostarine(MK-2866); GTx-024

登记号

• CAS号: 841205-47-8
• PubChem SID: 162037491
• PubChem CID: 11326715

理论计算性质

• Acid pKa: 11.946099
• 质子受体: 5
• 质子供体: 2
• LogD (pH = 5.5): 3.2725205
• LogD (pH = 7.4): 3.2725086
• Log P: 3.2725208
• 摩尔折射率: 95.0509 cm^3
• 极化性: 34.619236 Å^3
• 极化表面积: 106.14 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

分子性质

安全信息

• 保存条件: -20°C

药理学性质

• 作用靶点: Androgen Receptor

产品相关信息

• 成盐信息: Free Base

详细说明

Selleck Chemicals - S1174

Protocol

• Protocol: Kinase Assay ^[1]
• In vitro competitive radioligand binding assay: The AR binding affinity of Ostarine is determined using an in vitro competitive radioligand binding assay with [^3H]mibolerone (MIB). Briefly, increasing concentrations (0.01-5000 nM) of Ostarine are incubated with rat cytosol, a saturating concentration of [^3H]-MIB (1 nM), and 1000 nM triamcinolone acetonide to prevent interaction of MIB with progesterone receptors at 4 °C for 18 hours. At the end of incubation, free and bound [^3H]-MIB are separated using the hydroxyapatite method. IC50 value is determined by computer-fitting the data for each ligand by nonlinear regression analysis.
• Protocol: Animal Study ^[1]
• Animal Models: Immature castrated male Sprague-Dawley rats
• Formulation: Dissolved in DMSO, and diluted in saline
• Doses: 1 mg/day
• Administration: Subcutaneous injection

References

• References: [1] Kim J, et al. J Pharmacol Exp Ther, 2005, 315(1), 230-239.
• References: [2] Duke CB, et al. J Med Chem, 2011, 54(11), 3973-3976.

Toronto Research Chemicals - O703500

Nonsteroidal selective androgen receptor modulator (SARM) used in the treatment of osteoporosis and muscle wasting in animal models. A potential compound for the treatment of hypoactive sexual desire disorder.

参考文献

• Kim J, et al. J Pharmacol Exp Ther, 2005, 315(1), 230-239.
• Duke CB, et al. J Med Chem, 2011, 54(11), 3973-3976.
• Jones, A. et al.: J. Pharmacol. Exp. Therap., 224, 439 (2010)
• Thevis, M. et al.: Drug Test. Anal., 2, 589 (2010)