6-Butyl-9a-ethyl-8,9,9a,10-tetrahydro-3H-1,2,3-triaza-cyclopenta[a]fluoren-7-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: 6-Butyl-9a-ethyl-8,9,9a,10-tetrahydro-3H-1,2,3-triaza-cyclopenta[a]fluoren-7-one
• 英文别名: 6-butyl-9a-ethyl-2,8,9,10-tetrahydroindeno[2,1-e]benzotriazol-7-one
• 化学式: C₁₉H₂₃N₃O
• 分子量: 309.411
• InChiKey: QUCNJOJHJPTUQH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  7-乙基-7,8-二氢茚o[4,5-d][1,2,3]三唑-6(1H)-酮 、 1-丁基-2,8,9-三氧杂-5-氮杂-1-锡杂双环[3.3.3]十一烷 、 丁烯酮 生成 6-Butyl-9a-ethyl-8,9,9a,10-tetrahydro-3H-1,2,3-triaza-cyclopenta[a]fluoren-7-one
  参考文献：
  名称：

  Triazolo-tetrahydrofluorenones as selective estrogen receptor beta agonists

  摘要：

  Several tetrahydrofluorenones with a triazole fused across C7-C8 showed high levels of ER beta-selectivity and were found to be potent ER beta-agonists. As a class they demonstrate improved oral bioavailability in the rat over a parent class of 7-hydroxy-tetrahydrolluorenones. The most selective agonist displayed 5.7 nM affinity and 333-fold selectivity for ER beta. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.05.103

文献信息

• ESTROGEN RECEPTOR MODULATORS
  申请人：Merck & Co., Inc.

  公开号：EP1339683B1

  公开（公告）日：2006-06-14
• Methods for the treatment of hypertension
  申请人：Rohrer P. Susan

  公开号：US20070191438A1

  公开（公告）日：2007-08-16

  This invention relates to the treatment of hypertension, cardiac dysfunction or stroke by the administration of an estrogen receptor beta (ER&bgr;) selective agonist either as a single agent, or in combination with other agents.
• Triazolo-tetrahydrofluorenones as selective estrogen receptor beta agonists
  作者：Dann L. Parker、Dongfang Meng、Ronald W. Ratcliffe、Robert R. Wilkening、Donald M. Sperbeck、Mark L. Greenlee、Lawrence F. Colwell、Sherrie Lambert、Elizabeth T. Birzin、Katalin Frisch、Susan P. Rohrer、Stefan Nilsson、Ann-Gerd Thorsell、Milton L. Hammond

  DOI：10.1016/j.bmcl.2006.05.103

  日期：2006.9

  Several tetrahydrofluorenones with a triazole fused across C7-C8 showed high levels of ER beta-selectivity and were found to be potent ER beta-agonists. As a class they demonstrate improved oral bioavailability in the rat over a parent class of 7-hydroxy-tetrahydrolluorenones. The most selective agonist displayed 5.7 nM affinity and 333-fold selectivity for ER beta. (c) 2006 Elsevier Ltd. All rights reserved.