4-(3-(4-羟基苯基)-4,4-二甲基-5-氧代-2-硫代咪唑烷-1-基)-2-(三氟甲基)苯腈

• 常用名: 4-(3-(4-羟基苯基)-4,4-二甲基-5-氧代-2-硫代咪唑烷-1-基)-2-(三氟甲基)苯腈
• 英文名: 4-(3-(4-Hydroxyphenyl)-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile
• CAS号: 915086-32-7
• 分子量: 405.39400
• 密度: 1.52±0.1 g/cm3 (20 °C, 760 mmHg)
• 沸点: 548.7±60.0 °C (760 mmHg)
• 分子式: C₁₉H₁₄F₃N₃O₂S
• 熔点: N/A
• 闪点: N/A

用途

Androgen receptor antagonist 9 (compound 28) 是雄激素受体 (Androgen receptor) 的拮抗剂。

名称

• 中文名: 4-(3-(4-羟基苯基)-4,4-二甲基-5-氧代-2-硫代咪唑烷-1-基)-2-(三氟甲基)苯腈
• 英文名: Benzonitrile, 4-[3-(4-hydroxyphenyl)-4,4-dimethyl-5-oxo-2-thioxo-1-imidazolidinyl]-2-(trifluoromethyl)

生物活性

• 描述: Androgen receptor antagonist 9 (compound 28) 是雄激素受体 (Androgen receptor) 的拮抗剂。
• 相关类别:
  研究领域 >> 内分泌
  信号通路 >> 其他 >> 雄激素受体
• 参考文献:

  [1]. Jung ME, et al. Structure-activity relationship for thiohydantoin androgen receptor antagonists for castration-resistant prostate cancer (CRPC). J Med Chem. 2010 Apr 8;53(7):2779-96.

物理化学性质

• 密度: 1.52±0.1 g/cm3 (20 °C, 760 mmHg)
• 沸点: 548.7±60.0 °C (760 mmHg)
• 分子式: C₁₉H₁₄F₃N₃O₂S
• 分子量: 405.39400
• 精确质量: 405.07600
• PSA: 99.66000
• LogP: 4.32938
• InChIKey: VIMSHSUYAZHWKM-UHFFFAOYSA-N
• SMILES: CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1ccc(O)cc1
• 储存条件: 2-8°C，避光干燥密封

靶点实验

查看更多实验

实验名称：Inhibition of prostate specific antigen expression in human LNCAP cells at 0.625 to 5... 来源：ChEMBL 靶标：LNCaP External Id：CHEMBL1118286

实验名称：Apparent permeability in pH 7.4 ammonium acetate buffer incubated for 5 hrs by PAMPA 来源：ChEMBL 靶标：N/A External Id：CHEMBL4622397

实验名称：Antagonist activity at androgen receptor in rat prostate gland at 0.625 to 20 uM by l... 来源：ChEMBL 靶标：Androgen receptor External Id：CHEMBL1118285

实验名称：Inhibition of prostate specific antigen expression in human LNCAP cells at 0.625 to 2... 来源：ChEMBL 靶标：LNCaP External Id：CHEMBL1117917

实验名称：Chromatographic hydrophobicity index, log D of the compound at pH 7.4 by HPLC analysi... 来源：ChEMBL 靶标：N/A External Id：CHEMBL4622399

实验名称：Binding affinity to HSA assessed as free fraction by HPLC analysis 来源：ChEMBL 靶标：Albumin External Id：CHEMBL4622398

实验名称：Protac activity at VHL/androgen receptor in human LNCaP cells assessed as induction o... 来源：ChEMBL 靶标：Androgen receptor External Id：CHEMBL4622400

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英文别名

• 4-[3-(4-hydroxyphenyl)-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl]-2-trifluoromethylbenzonitrile
• 4-[3-(4-Hydroxyphenyl)-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl]-2-trifluoromethylbenzonitrile