N-[2-hydroxy-1-(1H-indol-3-ylmethyl)-1-methyl-ethyl]-5-[3-(1H-tetrazol-5-yl)-phenylethynyl]-2-trifluoromethoxy-benzamide | 1117833-77-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-[2-hydroxy-1-(1H-indol-3-ylmethyl)-1-methyl-ethyl]-5-[3-(1H-tetrazol-5-yl)-phenylethynyl]-2-trifluoromethoxy-benzamide
• 英文别名: N-[1-hydroxy-3-(1H-indol-3-yl)-2-methylpropan-2-yl]-5-[2-[3-(2H-tetrazol-5-yl)phenyl]ethynyl]-2-(trifluoromethoxy)benzamide
• CAS: 1117833-77-8
• 化学式: C₂₉H₂₃F₃N₆O₃
• 分子量: 560.535
• InChiKey: KLNOAAQESXIQGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  41
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  129
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  5-(3-溴苯基)-1H-四氮唑 、 5-Ethynyl-N-[2-hydroxy-1-(1H-indol-3-ylmethyl)-1-methyl-ethyl]-2-trifluoromethoxy-benzamide 在 bis-triphenylphosphine-palladium(II) chloride 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 0.75h， 生成 N-[2-hydroxy-1-(1H-indol-3-ylmethyl)-1-methyl-ethyl]-5-[3-(1H-tetrazol-5-yl)-phenylethynyl]-2-trifluoromethoxy-benzamide
  参考文献：
  名称：

  Alpha-alkyl substituted N-acyltryptophanols

  摘要：

  本发明涉及式I的α-烷基取代的N-酰基色氨酸醇，其中R1、R2、R3、R4、R5、R6、Q、X和W的含义如描述中所定义。本发明的化合物是有效的FSH拮抗剂，例如可用于男性或女性的生育控制，或用于骨质疏松的预防和/或治疗。

  公开号：

  EP2025669A1

文献信息

• ALPHA-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS
  申请人：Wortmann Lars

  公开号：US20090069328A1

  公开（公告）日：2009-03-12

  The present invention relates to α-alkyl substituted N-acyltryptophanols of the formula I in which R1, R2, R3, R4, R5, R6, Q, X and W have the meaning as defined in the description. The compounds according to the invention are effective FSH antagonists and can be used for example for fertility control in men or in women, or for the prevention and/or treatment of osteoporosis.

  本发明涉及式I中α-烷基取代的N-酰基色氨酸醇化合物，其中R1、R2、R3、R4、R5、R6、Q、X和W的含义如描述中所定义。本发明的化合物是有效的FSH拮抗剂，可用于男性或女性的生育控制，或用于骨质疏松症的预防和/或治疗。
• [EN] a-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS<br/>[FR] N-ACYLTRYPTOPHANOLS SUBSTITUÉS PAR ?-ALKYLE
  申请人：BAYER SCHERING PHARMA AG

  公开号：WO2009021980A1

  公开（公告）日：2009-02-19

  The present invention relates to α-alkyl substituted N-acyltryptophanols of the formula (I), in which R1, R2, R3, R4, R5, R6, Q, X and W have the meaning as defined in the description. The compounds according to the invention are effective FSH antagonists and can be used for example for fertility control in men or in women, or for the prevention and/or treatment of osteoporosis.
• Alpha-alkyl substituted N-acyltryptophanols
  申请人：Bayer Schering Pharma Aktiengesellschaft

  公开号：EP2025669A1

  公开（公告）日：2009-02-18

  The present invention relates to α-alkyl substituted N-acyltryptophanols of the formula I in which R1, R2, R3, R4, R5, R6, Q, X and W have the meaning as defined in the description. The compounds according to the invention are effective FSH antagonists and can be used for example for fertility control in men or in women, or for the prevention and/or treatment of osteoporosis.

  本发明涉及式I的α-烷基取代的N-酰基色氨酸醇，其中R1、R2、R3、R4、R5、R6、Q、X和W的含义如描述中所定义。本发明的化合物是有效的FSH拮抗剂，例如可用于男性或女性的生育控制，或用于骨质疏松的预防和/或治疗。