(6-ethoxynaphthalen-2-yl)-(1-trityl-1H-imidazol-4-yl)ketone | 247174-10-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: (6-ethoxynaphthalen-2-yl)-(1-trityl-1H-imidazol-4-yl)ketone
• 英文别名: (6-ethoxynaphthalen-2-yl)(1-trityl-1H-imidazol-4-yl)ketone；(6-ethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanone
• CAS: 247174-10-3
• 化学式: C₃₅H₂₈N₂O₂
• 分子量: 508.62
• InChiKey: IMTUSFIHSZXUQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  39
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (6-ethoxynaphthalen-2-yl)-(1-trityl-1H-imidazol-4-yl)ketone 在 ammonium chloride 、 异丙基氯化镁 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 1-(6-Ethoxynaphthalen-2-yl)-1-(1-trityl-1H-imidazol-4-yl)-2-methyl-1-propanol
  参考文献：
  名称：

  PROCESS FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE DERIVATIVE AND OPTICAL RESOLVER THEREFOR

  摘要：

  公开号：

  EP1227085B1

文献信息

• Naphthalene derivatives, their production and use
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US06573289B1

  公开（公告）日：2003-06-03

  A composition containing a compound of the formula: wherein A is a nitrogen-containing heterocyclic group which may be substituted, R1 is a hydrogen atom, hydrocarbon group which may be substituted, or monocyclic aromatic heterocyclic group which may be substituted, R2 is a hydrogen atom or a lower alkyl group which may be substituted, R3, R4, R5, R6, R7, R8 and R9 are independently a hydrogen atom, a hydrocarbon group which may be substituted, a hydroxy group which may be substituted, a thiol group which may be substituted, an amino group which may be substituted, an acyl group or a halogen atom, a salt thereof or a prodrug thereof has steroid C17,20-lyase inhibitory activity, and is useful for preventing and treating for example, primary cancer of malignant tumor, its metastasis and recurrence thereof.

  包含以下公式化合物的组合物： 其中A是可被取代的含氮杂环基团，R1是氢原子、可被取代的烃基团或可被取代的单环芳族杂环基团，R2是氢原子或可被取代的低级烷基团，R3、R4、R5、R6、R7、R8和R9独立地是氢原子、可被取代的烃基团、可被取代的羟基、可被取代的硫醇基、可被取代的氨基、酰基或卤素原子，其盐或前药对类固醇C17,20-裂解酶具有抑制作用，并且对于例如预防治疗原发恶性肿瘤、其转移和复发等是有用的。
• Process for producing optically active naphthalene derivative and optical resolver therefor
  申请人：Takeda Chemical Industries, Ltd.

  公开号：US06800778B1

  公开（公告）日：2004-10-05

  The present invention provides a method of producing an optically active form of a compound represented by the formula (I) having a steroid C17,20-lyase inhibitory activity and is useful as an agent for the prophylaxis or treatment of prostatism, tumor such as breast cancer, and the like or a salt thereof, which method includes reacting a mixture of optically active compounds of a naphthalene derivative represented by the formula: wherein R is a nitrogen-containing heterocyclic group, R1 is a hydrogen atom, a hydrocarbon group or an aromatic heteromonocyclic group, R2 is a hydrogen atom or a lower alkyl group, * shows the position of an asymmetric carbon, R3, R4, R5, R6, R7, R8 and R9 are each independently a hydrogen atom, a hydrocarbon group, a hydroxy group, a thiol group, an amino group, a carbamoyl group, an acyl group or a halogen atom, and R7 is bonded with R6 or R8 to form, together with a carbon atom on a naphthalene ring, a 5 or 6-membered ring containing an oxygen atom, with an optically active form of a compound represented by the formula: wherein ring A is a benzene ring, R10 and R11 are the same or different and each is a hydrogen atom, a hydrocarbon group or a halogen atom, or R10 and R11 in combination show an alkylene group, * shows the position of an asymmetric carbon, and ring B and ring C are each an aromatic ring, separating the resulting salt, and isolating the optically active form, and a novel reagent for optical resolution.

  本发明提供了一种生产一种具有类固醇C17,20-裂解酶抑制活性的化合物的光学活性形式的方法，该化合物由式（I）表示，可用作预防或治疗前列腺增生、乳腺癌等肿瘤的药物或其盐。该方法包括将由式表示的萘衍生物的光学活性化合物混合物反应：其中R是含氮杂环基团，R1是氢原子、碳氢基团或芳香族杂单环基团，R2是氢原子或较低的烷基团，*表示一个不对称碳的位置，R3、R4、R5、R6、R7、R8和R9分别独立地是氢原子、碳氢基团、羟基、硫醇基、氨基、氨基甲酰基、酰基或卤素原子，其中R7与R6或R8结合，与萘环上的碳原子一起形成一个含氧原子的5或6元环。通过与由式表示的化合物的光学活性形式反应：其中环A是苯环，R10和R11相同或不同，分别是氢原子、碳氢基团或卤素原子，或R10和R11组合成一个烷基链，*表示一个不对称碳的位置，环B和环C分别是芳香环，分离得到的盐，并分离得到光学活性形式，以及用于光学分辨的新试剂。
• US6573289B1
  申请人：——

  公开号：US6573289B1

  公开（公告）日：2003-06-03
• US6800778B1
  申请人：——

  公开号：US6800778B1

  公开（公告）日：2004-10-05
• PROCESS FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE DERIVATIVE AND OPTICAL RESOLVER THEREFOR
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1227085B1

  公开（公告）日：2006-03-15