| 1195261-05-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• CAS: 1195261-05-2
• 化学式: C₁₃H₁₆N₂O₃
• 分子量: 248.282
• InChiKey: XYGZWKWRNQZPBY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  18.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  67.26
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  6-氟-2,3,4,9-四氢-1H-咔唑-3-甲醛 、 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-((1-((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)methyl)piperidin-4-yl)methoxy)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
• 作为产物：
  描述：

  在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成
  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