(E)-1-(9H-xanthen-9-yl)tridec-3-en-2-one | 216163-78-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: (E)-1-(9H-xanthen-9-yl)tridec-3-en-2-one
• CAS: 216163-78-9
• 化学式: C₂₆H₃₂O₂
• 分子量: 376.539
• InChiKey: XJCVRJYRNNXRKY-XNTDXEJSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  28
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (E)-1-(9H-xanthen-9-yl)tridec-3-en-2-one 在 sodium hydroxide 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙醇 为溶剂， 反应 0.5h， 生成
  参考文献：
  名称：

  2,3′-disubstituted-2-(2′-carboxycyclopropyl)glycines as potent and selective antagonists of metabotropic glutamate receptors

  摘要：

  2-(9-Xanthylmethyl)-2-(2' -carboxycyclopropyl) glycine 6e is a novel metabotropic glutamate receptor antagonist. A series of alpha, C-3' disubstituted (carboxycyclopropyl)glycines 6f-n were prepared. Antagonist activity was observed for all these compounds at group 2 and group 3 mGluRs. Although they were slightly less active on group 2 mGluRs than non C-3' substituted 6e, the compounds 6f-n were more selective with lesser or no activity on group I mGluR subtypes (IC50 values greater than 100 mu m). (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00510-1
• 作为产物：
  描述：

  xanthen-9-yl-acetic acid ethyl ester 在 正丁基锂 、 双(三甲基硅烷基)氨基钾 作用下， 反应 0.75h， 生成 (E)-1-(9H-xanthen-9-yl)tridec-3-en-2-one
  参考文献：
  名称：

  2,3′-disubstituted-2-(2′-carboxycyclopropyl)glycines as potent and selective antagonists of metabotropic glutamate receptors

  摘要：

  2-(9-Xanthylmethyl)-2-(2' -carboxycyclopropyl) glycine 6e is a novel metabotropic glutamate receptor antagonist. A series of alpha, C-3' disubstituted (carboxycyclopropyl)glycines 6f-n were prepared. Antagonist activity was observed for all these compounds at group 2 and group 3 mGluRs. Although they were slightly less active on group 2 mGluRs than non C-3' substituted 6e, the compounds 6f-n were more selective with lesser or no activity on group I mGluR subtypes (IC50 values greater than 100 mu m). (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00510-1

文献信息

• Cyclopropyl glycine derivatives with pharmaceutical properties
  申请人：LILLY S.A.

  公开号：EP0870760A1

  公开（公告）日：1998-10-14

  A pharmaceutical compound of the formula in which R1 is C1-10 alkyl, C2-10 alkenyl, C2-10 alkynyl, C3-10 cycloalkyl, C3-10 cycloalkyl-C1-10 alkyl, C3-10 cycloalkyl-C2-10 alkenyl, C3-10 cycloalky-C2-10 alkynyl, optionally substituted phenyl-C1-10 alkyl, optionally substituted phenyl-C2-10 alkenyl, optionally substituted phenyl-C2-10 alkynyl, optionally substituted naphthyl, optionally substituted naphthyl-C1-10 alkyl, C1-10 alkoxy-C1-10 alkyl, C3-10 cycloalkoxy-C1-10 alkyl, optionally substituted heterocyclyl, optionally substituted heterocyclyl-C1-10 alkyl, optionally substituted phenyl fused to C5-10 cycloalkyl, optionally substituted tricyclic, optionally substituted tricyclic-C1-10 alkyl, or [optionally substituted phenyl(CH2)n]2-C1-10 alkyl, where n is 0 or 1 to 4, and R2 is hydrogen or one of the values for R1; or a salt or ester thereof.

  一种药物化合物，其式如下 其中 R1 是 C1-10 烷基、C2-10 烯基、C2-10 炔基、C3-10 环烷基、C3-10 环烷基-C1-10 烷基、C3-10 环烷基-C2-10 烯基、C3-10 环烷基-C2-10 炔基、任选取代的苯基-C1-10 烷基、任选取代的苯基-C2-10 烯基、任选取代的苯基-C2-10 炔基、任选取代的萘基、任选取代的萘基-C1-10 烷基、C1-10烷氧基-C1-10烷基，C3-10环烷氧基-C1-10烷基，任选取代的杂环基，任选取代的杂环基-C1-10烷基，与C5-10环烷基融合的任选取代的苯基，任选取代的三环基，任选取代的三环基-C1-10烷基，或[任选取代的苯基（CH2）n]2-C1-10烷基，其中 n 为 0 或 1 至 4，且 R2 是氢或 R1 的值之一； 或其盐或酯。
• US6172058B1
  申请人：——

  公开号：US6172058B1

  公开（公告）日：2001-01-09
• 2,3′-disubstituted-2-(2′-carboxycyclopropyl)glycines as potent and selective antagonists of metabotropic glutamate receptors
  作者：Iván Collado、Jesús Ezquerra、Angel Mazón、Concepción Pedregal、Belén Yruretagoyena、Anne E. Kingston、Rosemary Tomlinson、Rebecca A. Wright、Bryan G. Johnson、Darryle D. Schoepp

  DOI：10.1016/s0960-894x(98)00510-1

  日期：1998.10

  2-(9-Xanthylmethyl)-2-(2' -carboxycyclopropyl) glycine 6e is a novel metabotropic glutamate receptor antagonist. A series of alpha, C-3' disubstituted (carboxycyclopropyl)glycines 6f-n were prepared. Antagonist activity was observed for all these compounds at group 2 and group 3 mGluRs. Although they were slightly less active on group 2 mGluRs than non C-3' substituted 6e, the compounds 6f-n were more selective with lesser or no activity on group I mGluR subtypes (IC50 values greater than 100 mu m). (C) 1998 Elsevier Science Ltd. All rights reserved.