2-[(3-chloro-4-hydroxybenzoyl)amino]-N-[2-(2-methoxyphenyl)ethyl]-5-phenoxybenzamide | 863382-83-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[(3-chloro-4-hydroxybenzoyl)amino]-N-[2-(2-methoxyphenyl)ethyl]-5-phenoxybenzamide
• 英文别名: Benzamide, 2-((3-chloro-4-hydroxybenzoyl)amino)-N-(2-(2-methoxyphenyl)ethyl)-5-phenoxy-；3-chloro-4-hydroxy-N-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]-4-phenoxyphenyl]benzamide
• CAS: 863382-83-6
• 化学式: C₂₉H₂₅ClN₂O₅
• 分子量: 516.981
• InChiKey: KDBZEGIJKPPLLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  37
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  96.9
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-[[3-chloro-4-[(3,4-dimethoxyphenyl)methoxy]benzoyl]amino]-N-[2-(2-methoxyphenyl)ethyl]-5-phenoxy-benzamide 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以88%的产率得到2-[(3-chloro-4-hydroxybenzoyl)amino]-N-[2-(2-methoxyphenyl)ethyl]-5-phenoxybenzamide
  参考文献：
  名称：

  Anthranilic acid derivatives as inhibitors of 17beta-hydroxysteroid dehydrogenase 3

  摘要：

  Anthranilic acid衍生物，使用这些化合物治疗激素敏感性疾病，如前列腺癌的方法，以及含有这些化合物的制药组合物。

  公开号：

  US20060135619A1

文献信息

• Anthranilic acid derivatives as inhibitors of 17β-hydroxysteroid dehydrogenase 3
  申请人：Britsol-Myers Squibb Company

  公开号：US07569725B2

  公开（公告）日：2009-08-04

  Disclosed are anthranilic acid derivatives having Formula (I): and pharmaceutically acceptable salts thereof; and pharmaceutical compositions comprising such compounds. Also disclosed are methods of using such compounds in the treatment of conditions or diseases such as prostate cancer, and methods of using such compounds in the inhibition of 17β-hydroxysteroid dehydrogenase type 3 enzyme.

  本发明涉及具有以下式（I）的蒽酸衍生物及其药学上可接受的盐；以及包含此类化合物的药物组合物。本发明还涉及使用这些化合物治疗前列腺癌等疾病或症状的方法，以及使用这些化合物抑制17β-羟基类固醇脱氢酶3酶的方法。
• Methods for identifying or screening for agents that modulate 17beta-HSD3
  申请人：Lorenzi V. Matthew

  公开号：US20050191707A1

  公开（公告）日：2005-09-01

  Methods for determining whether a test agent inhibits a 17β-HSD3, said methods comprising: obtaining a recombinant host cell that expresses said 17β-HSD3; obtaining a reaction mixture comprising said 17β-HSD3, androstenedione, and said test agent; measuring the amount of testosterone in said reaction mixture by a scintillation proximity assay (SPA) using SPA beads conjugated with a testosterone-specific antibody, wherein when the amount of testosterone is lower in the presence of a test agent than in the absence of the test agent, the test agent is identified as an inhibitor of said 17β-HSD3.

  确定测试剂是否抑制 17β-HSD3 的方法，所述方法包括获得表达所述 17β-HSD3 的重组宿主细胞； 获得由所述 17β-HSD3、雄烯二酮和所述测试剂组成的反应混合物； 使用与睾酮特异性抗体连接的 SPA 珠子，通过闪烁近似测定法（SPA）测量所述反应混合物中的睾酮含量，其中，当测试剂存在时睾酮含量低于测试剂不存在时，则该测试剂被确定为所述 17β-HSD3 的抑制剂。
• US7138246B2
  申请人：——

  公开号：US7138246B2

  公开（公告）日：2006-11-21
• US7569725B2
  申请人：——

  公开号：US7569725B2

  公开（公告）日：2009-08-04
• [EN] METHODS FOR IDENTIFYING OR SCREENING FOR AGENTS THAT MODULATE 17BETA- HSD3<br/>[FR] PROCEDES D'IDENTIFICATION OU DE CRIBLAGE D'AGENTS MODULANT 17 DOLLAR G(B)-HSD3
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2005084278A2

  公开（公告）日：2005-09-15

  Methods for determining whether a test agent inhibits a 17 -HSD3, said methods comprising: obtaining a recombinant host cell that expresses said 17 -HSD3; obtaining a reaction mixture comprising said 17 -HSD3, androstenedione, and said test agent; measuring the amount of testosterone in said reaction mixture by a scintillation proximity assay (SPA) using SPA beads conjugated with a testosterone-specific antibody, wherein when the amount of testosterone is lower in the presence of a test agent than in the absence of the test agent, the test agent is identified as an inhibitor of said 17 -HSD3.