1-{4'-[1-hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl][1,1'-biphenyl]-3-yl}ethanone | 337535-01-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-{4'-[1-hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl][1,1'-biphenyl]-3-yl}ethanone
• 英文别名: 1-[3-[4-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]phenyl]phenyl]ethanone
• CAS: 337535-01-0
• 化学式: C₂₁H₂₂N₂O₂
• 分子量: 334.418
• InChiKey: MVOKTXXAQSYRBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  66
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-{4'-[1-hydroxy-2-methyl-1-(1-trityl-1H-imidazol-4-yl)propyl][1,1'-biphenyl]-3-yl}ethanone 在 吡啶盐酸盐 作用下， 生成 1-{4'-[1-hydroxy-1-(1H-imidazol-4-yl)-2-methylpropyl][1,1'-biphenyl]-3-yl}ethanone
  参考文献：
  名称：

  1-substituted phenyl-1-(1h-imidazol-4-yl) alcohols, process for producing the same and use thereof

  摘要：

  提供一种具有类固醇C17,20-裂解酶抑制活性的化合物，并且作为预防或治疗前列腺增生和乳腺癌等肿瘤的药物。所述化合物的结构式如下：其中R为氢原子或保护基，R1为较低的烷基或环烃基，R2为芳香烃基，可选择地具有取代基，或芳香杂环基，可选择地具有取代基，R3为烃基，可选择地具有取代基，羟基，可选择地具有取代基，硫醇基，可选择地具有取代基，氨基，可选择地具有取代基，酰基或卤原子，n为0到4的整数，以及其盐具有类固醇C17,20-裂解酶抑制活性，并且作为预防或治疗前列腺增生和乳腺癌等肿瘤的药物。

  公开号：

  US06518257B1

文献信息

• 1-SUBSTITUTED PHENYL-1-(1H-IMIDAZOL-4-YL) ALCOHOLS, PROCESS FOR PRODUCING THE SAME AND USE THEREOF
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1227086A1

  公开（公告）日：2002-07-31

  [Problem] To provide a composition having a steroid C17,20 lyase inhibitory activity and useful as an agent for the prophylaxis or treatment of prostatism and tumors such as breast cancer. A compound represented by the formula: wherein R is a hydrogen atom or a protecting group, R1 is a lower alkyl group or a cyclic hydrocarbon group, R2 is an aromatic hydrocarbon group optionally having substituents or an aromatic heterocyclic group optionally having substituents, R3 is a hydrocarbon group optionally having substituents, a hydroxyl group optionally having substituents, a thiol group optionally having substituents, an amino group optionally having substituents, an acyl group or a halogen atom, and n is an integer of 0 to 4, and a salt thereof have a steroid C17,20-lyase inhibitory activity, and are useful as an agent for the prophylaxis or treatment of prostatism and tumors such as breast cancer and the like.

  [问题] 提供一种组合物，该组合物具有类固醇 C17,20 裂解酶抑制活性，可作为预防或治疗前列腺炎和乳腺癌等肿瘤的药物。一种由式表示的化合物： 其中 R 是氢原子或保护基，R1 是低级烷基或环状烃基，R2 是任选具有取代基的芳香烃基或任选具有取代基的芳香杂环基，R3 是任选具有取代基的烃基、任选具有取代基的羟基、R3为可选具有取代基的烃基、可选具有取代基的羟基、可选具有取代基的硫醇基、可选具有取代基的氨基、酰基或卤素原子，且 n 为 0 至 4 的整数，这些化合物及其盐具有类固醇 C17,20-lyase 抑制活性，可用作预防或治疗前列腺疾病和乳腺癌等肿瘤的药物。
• US6518257B1
  申请人：——

  公开号：US6518257B1

  公开（公告）日：2003-02-11
• 1-substituted phenyl-1-(1h-imidazol-4-yl) alcohols, process for producing the same and use thereof
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US06518257B1

  公开（公告）日：2003-02-11

  To provide a composition having a steroid C17,20-lyase inhibitory activity and useful as an agent for the prophylaxis or treatment of prostatism and tumors such as breast cancer. A compound represented by the formula: wherein R is a hydrogen atom or a protecting group, R1 is a lower alkyl group or a cyclic hydrocarbon group, R2 is an aromatic hydrocarbon group optionally having substituents or an aromatic heterocyclic group optionally having substituents, R3 is a hydrocarbon group optionally having substituents, a hydroxyl group optionally having substituents, a thiol group optionally having substituents, an amino group optionally having substituents, an acyl group or a halogen atom, and n is an integer of 0 to 4, and a salt thereof have a steroid C17,20-lyase inhibitory activity, and are useful as an agent for the pophylaxis or treatment of prostatism and tumors such as beast cancer and the like.

  提供一种具有类固醇C17,20-裂解酶抑制活性的化合物，并且作为预防或治疗前列腺增生和乳腺癌等肿瘤的药物。所述化合物的结构式如下：其中R为氢原子或保护基，R1为较低的烷基或环烃基，R2为芳香烃基，可选择地具有取代基，或芳香杂环基，可选择地具有取代基，R3为烃基，可选择地具有取代基，羟基，可选择地具有取代基，硫醇基，可选择地具有取代基，氨基，可选择地具有取代基，酰基或卤原子，n为0到4的整数，以及其盐具有类固醇C17,20-裂解酶抑制活性，并且作为预防或治疗前列腺增生和乳腺癌等肿瘤的药物。