7-(4-(3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-2-yl)propyl)piperazin-1-yl)benzo[d]oxazol-2(3H)-one | 1195261-30-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 7-(4-(3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-2-yl)propyl)piperazin-1-yl)benzo[d]oxazol-2(3H)-one
• 英文别名: 7-[4-[3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-2-yl)propyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
• CAS: 1195261-30-3
• 化学式: C₂₆H₂₉FN₄O₂
• 分子量: 448.54
• InChiKey: MEEJIZJKZLHYFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  60.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  、 7-哌嗪-1-基-3H-苯并噁唑-2-酮 在 三乙酰氧基硼氢化钠 作用下， 以 四氢呋喃 、 1,2-二氯乙烷 为溶剂， 生成 7-(4-(3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-2-yl)propyl)piperazin-1-yl)benzo[d]oxazol-2(3H)-one
  参考文献：
  名称：

  Tetrahydrocarbazole-based serotonin reuptake inhibitor/dopamine D2 partial agonists for the potential treatment of schizophrenia

  摘要：

  A 5-fluoro-tetrahydrocarbazole serotonin reuptake inhibitor (SRI) building block was combined with a variety of linkers and dopamine D-2 receptor ligands in an attempt to identify potent D-2 partial agonist/SRI molecules for treatment of schizophrenia. This approach has the potential to treat a broader range of symptoms compared to existing therapies. Selected compounds in this series demonstrate high affinity for both targets and D-2 partial agonism in cell-based and in vivo assays. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.08.050

文献信息

• Tetrahydrocarbazole-based serotonin reuptake inhibitor/dopamine D2 partial agonists for the potential treatment of schizophrenia
  作者：David P. Rotella、Geraldine R. McFarlane、Alexander Greenfield、Cristina Grosanu、Albert J. Robichaud、Rajiah Aldrin Denny、Rolf W. Feenstra、Sara Núñez-García、Jan-Hendrik Reinders、Martina van der Neut、Andrew McCreary、Chris G. Kruse、Kelly Sullivan、Farhana Pruthi、Margaret Lai、Jean Zhang、Dianne M. Kowal、Tikva Carrick、Steven M. Grauer、Rachel L. Navarra、Radka Graf、Julie Brennan、Karen L. Marquis、Mark H. Pausch

  DOI：10.1016/j.bmcl.2009.08.050

  日期：2009.10

  A 5-fluoro-tetrahydrocarbazole serotonin reuptake inhibitor (SRI) building block was combined with a variety of linkers and dopamine D-2 receptor ligands in an attempt to identify potent D-2 partial agonist/SRI molecules for treatment of schizophrenia. This approach has the potential to treat a broader range of symptoms compared to existing therapies. Selected compounds in this series demonstrate high affinity for both targets and D-2 partial agonism in cell-based and in vivo assays. (C) 2009 Elsevier Ltd. All rights reserved.