2-[4-[[(2S,4R,6R)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl]methyl]piperazin-1-yl]ethyl methanesulfonate | 915709-61-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 二苯并环庚烯
• 英文名称: 2-[4-[[(2S,4R,6R)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl]methyl]piperazin-1-yl]ethyl methanesulfonate
• CAS: 915709-61-4
• 化学式: C₂₅H₃₁FN₂O₄S
• 分子量: 474.597
• InChiKey: DEHGNGNUEWDWOG-NQHRYMMQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  67.5
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-[4-[[(2S,4R,6R)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl]methyl]piperazin-1-yl]ethyl methanesulfonate 以 甲醇 为溶剂， 反应 0.25h， 生成
  参考文献：
  名称：

  WO2006/122944

  摘要：

  公开号：
• 作为产物：
  描述：

  N-羟乙基哌嗪 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 16.25h， 生成 2-[4-[[(2S,4R,6R)-17-fluoro-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl]methyl]piperazin-1-yl]ethyl methanesulfonate
  参考文献：
  名称：

  WO2006/122944

  摘要：

  公开号：

文献信息

• [EN] NOVEL TETRACYCLIC TETRAHYDROFURAN DERIVATIVES CONTAINING A CYCLIC AMINE SIDE CHAIN<br/>[FR] NOUVEAUX DERIVES TETRACYCLIQUES DE TETRAHYDROFURANE CONTENANT UNE CHAINE LATERALE D'AMINE CYCLIQUE
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2006134163A3

  公开（公告）日：2007-04-12
• Selected Tetracyclic Tetrahydrofuran Derivatives Containing a Cyclic Amine Side Chain
  申请人：Fernandez-Gadea Francisco Javier

  公开号：US20080214572A1

  公开（公告）日：2008-09-04

  This invention concerns novel tetracyclic tetrahydrofuran derivatives containing a cyclic amine side chain with binding affinities towards serotonin receptors, in particular 5-HT 2A and 5-HT 2C receptors, and towards dopamine receptors, in particular dopamine D 2 receptors, pharmaceutical compositions comprising the compounds according to the invention, the use thereof as a medicine, in particular for the prevention and/or treatment of a range of psychiatric and neurological disorders, in particular certain psychotic, cardiovascular and gastrokinetic disorders and processes for their production. The compounds according to the invention can be represented by general Formula (I) and comprises also a pharmaceutically acceptable acid or base addition salt thereof, a stereochemically isomeric form thereof, an N-oxide form thereof, and a quaternary ammonium salt thereof, wherein all substituents are defined as in claim 1.
• WO2006/122944
  申请人：——

  公开号：——

  公开（公告）日：——