4-{6-hydroxy-1-[4-(2-piperidin-1-yl-ethoxy)-phenoxy]-naphthalen-2-yl}-N,N-dimethyl-benzamide | 862081-59-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-{6-hydroxy-1-[4-(2-piperidin-1-yl-ethoxy)-phenoxy]-naphthalen-2-yl}-N,N-dimethyl-benzamide
• 英文别名: 4-(6-hydroxy-1-(4-(2-(piperidin-1-yl)ethoxy)phenoxy)naphthalen-2-yl)-N,N-dimethylbenzamide；4-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide
• CAS: 862081-59-2
• 化学式: C₃₂H₃₄N₂O₄
• 分子量: 510.633
• InChiKey: KZGJWJJJDKPFMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  38
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  62.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-{6-hydroxy-1-[4-(2-piperidin-1-yl-ethoxy)-phenoxy]-naphthalen-2-yl}-N,N-dimethyl-benzamide 在 盐酸 作用下， 以 乙醚 为溶剂， 生成 4-{6-hydroxy-1-[4-(2-piperidin-1-yl-ethoxy)-phenoxy]-naphthalen-2-yl}-N,N-dimethyl-benzamide hydrochloride
  参考文献：
  名称：

  [EN] SELECTIVE ESTROGEN RECEPTOR MODULATORS
  [FR] MODULATEURS SELECTIFS DU RECEPTEUR DES OESTROGENES

  摘要：

  本发明涉及一种化学式I（I）的选择性雌激素受体调节剂；或其药用酸盐；以及化学式II（II）的化合物；或其药用盐；可用于治疗子宫内膜异位症和/或子宫平滑肌瘤。

  公开号：

  WO2005073205A1
• 作为产物：
  描述：

  1-溴-6-甲氧基-2-萘酚 在 palladium diacetate 、 palladium dihydroxide 甲酸铵 、 三溴化硼 、 三氟甲烷磺酸亚铜(I)苯联合体 (2:1) 、 cesium fluoride 、 三环己基膦 作用下， 反应 4.0h， 生成 4-{6-hydroxy-1-[4-(2-piperidin-1-yl-ethoxy)-phenoxy]-naphthalen-2-yl}-N,N-dimethyl-benzamide
  参考文献：
  名称：

  Structure–activity relationships of SERMs optimized for uterine antagonism and ovarian safety

  摘要：

  Structure-activity relationship studies are described, which led to the discovery of novel selective estrogen receptor modulators (SERMs) for the potential treatment of uterine fibroids. The SAR studies focused on limiting brain exposure and were guided by computational properties. Compounds with limited impact on the HPO axis were selected using serum estrogen levels as a biomarker for ovarian stimulation. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.04.044

文献信息

• Selective estrogen receptor modulators
  申请人：Dally Dean Robert

  公开号：US20070111988A1

  公开（公告）日：2007-05-17

  The present invention relates to a selective estrogen receptor modulators of formula I (I); or a pharmaceutical acid addition salt thereof; and of formula II (II); or a pharmaceutical salt thereof; useful, e.g., for treating endometriosis and/or uterine leiomyoma/leiomyomata.

  本发明涉及公式I（I）的选择性雌激素受体调节剂; 或其药物酸加盐; 以及公式II（II）的药物盐; 例如，用于治疗子宫内膜异位症和/或子宫平滑肌瘤/平滑肌瘤。
• [EN] SELECTIVE ESTROGEN RECEPTOR MODULATORS<br/>[FR] MODULATEURS SELECTIFS DU RECEPTEUR DES OESTROGENES
  申请人：LILLY CO ELI

  公开号：WO2005073205A1

  公开（公告）日：2005-08-11

  The present invention relates to a selective estrogen receptor modulators of formula I (I); or a pharmaceutical acid addition salt thereof; and of formula II (II); or a pharmaceutical salt thereof; useful, e.g., for treating endometriosis and/or uterine leiomyoma/leiomyomata.

  本发明涉及一种化学式I（I）的选择性雌激素受体调节剂；或其药用酸盐；以及化学式II（II）的化合物；或其药用盐；可用于治疗子宫内膜异位症和/或子宫平滑肌瘤。
• Structure–activity relationships of SERMs optimized for uterine antagonism and ovarian safety
  作者：Timothy I. Richardson、Scott A. Frank、Minmin Wang、Christian A. Clarke、Scott A. Jones、Bai-Ping Ying、Dan T. Kohlman、Owen B. Wallace、Timothy A. Shepherd、Robert D. Dally、Alan D. Palkowitz、Andrew G. Geiser、Henry U. Bryant、Judith W. Henck、Ilene R. Cohen、Daniel G. Rudmann、Denis J. McCann、David E. Coutant、Samuel W. Oldham、Conrad W. Hummel、Kin C. Fong、Ronald Hinklin、George Lewis、Hongqi Tian、Jeffrey A. Dodge

  DOI：10.1016/j.bmcl.2007.04.044

  日期：2007.7

  Structure-activity relationship studies are described, which led to the discovery of novel selective estrogen receptor modulators (SERMs) for the potential treatment of uterine fibroids. The SAR studies focused on limiting brain exposure and were guided by computational properties. Compounds with limited impact on the HPO axis were selected using serum estrogen levels as a biomarker for ovarian stimulation. (c) 2007 Elsevier Ltd. All rights reserved.