1-(2-{4-[2-(4-methanesulfonylphenyl)-6-methoxynaphthalen-1-yloxy]phenoxy}ethyl)piperidine | 648904-52-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 1-(2-{4-[2-(4-methanesulfonylphenyl)-6-methoxynaphthalen-1-yloxy]phenoxy}ethyl)piperidine
• 英文别名: 1-(2-{4-[2-(4-Methanesulfonyl-phenyl)-6-methoxy-naphthalen-1-yloxy]-phenoxy}-ethyl)-piperidine；1-[2-[4-[6-methoxy-2-(4-methylsulfonylphenyl)naphthalen-1-yl]oxyphenoxy]ethyl]piperidine
• CAS: 648904-52-3
• 化学式: C₃₁H₃₃NO₅S
• 分子量: 531.673
• InChiKey: MZULRKSSKSJGAE-UHFFFAOYSA-N

物化性质

• 沸点：
  704.5±60.0 °C(Predicted)
• 密度：
  1.210±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  38
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  73.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-(2-{4-[2-(4-methanesulfonylphenyl)-6-methoxynaphthalen-1-yloxy]phenoxy}ethyl)piperidine 在 盐酸 作用下， 以 various solvents 为溶剂， 以96%的产率得到6-(4-methanesulfonyl-phenyl)-5-[4-(2-piperidin-1-yl-ethoxy)-phenoxy]-naphthalen-2-ol
  参考文献：
  名称：

  A Selective Estrogen Receptor Modulator Designed for the Treatment of Uterine Leiomyoma with Unique Tissue Specificity for Uterus and Ovaries in Rats

  摘要：

  The design of a novel selective estrogen receptor modulator (SERM) for the potential treatment of uterine leiomyoma is described. 16 (LY2066948-HCl) binds with high affinity to estrogen receptors alpha and beta (ERalpha and ERbeta, respectively) and is a potent uterine antagonist with minimal effects on the ovaries as determined by serum biomarkers and histologic evaluation.

  DOI：

  10.1021/jm050723z
• 作为产物：
  描述：

  1-溴-6-甲氧基-2-萘酚 在 palladium diacetate 、 palladium dihydroxide 甲酸铵 、 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 1-(2-{4-[2-(4-methanesulfonylphenyl)-6-methoxynaphthalen-1-yloxy]phenoxy}ethyl)piperidine
  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

• [EN] SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP<br/>[FR] MODULATEURS SELECTIFS DES RECEPTEURS OESTROGENIQUES CONTENANT UN GROUPE PHENYLSULFONYLE
  申请人：LILLY CO ELI

  公开号：WO2004009086A1

  公开（公告）日：2004-01-29

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

  本发明涉及式I的选择性雌激素受体调节剂或其药用酸盐加合物；例如，用于治疗子宫内膜异位症和/或子宫平滑肌瘤。
• Selective estrogen receptor modulators containing a phenylsulfonyl group
  申请人：Dally Dean Robert

  公开号：US20060183736A1

  公开（公告）日：2006-08-17

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

  本发明涉及式I的选择性雌激素受体调节剂或其药物酸盐加合物；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。
• SELECTIVE ESTROGEN RECEPTOR MODULATORS CONTAINING A PHENYLSULFONYL GROUP
  申请人：Dally Robert Dean

  公开号：US20080214612A1

  公开（公告）日：2008-09-04

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

  本发明涉及公式I的选择性雌激素受体调节剂或其药物酸盐，例如，用于治疗子宫内膜异位症和/或子宫平滑肌瘤/肌瘤。
• J. Med. Chem. 2005, 48, 6772-6775
  作者：

  DOI：——

  日期：——
• US7399867B2
  申请人：——

  公开号：US7399867B2

  公开（公告）日：2008-07-15