ethyl 4-(2-methyl-10H-benzo[b]thieno[2,3-e][1,4]diazepin-4-yl)piperazine-1-carboxylate | 1428146-26-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: ethyl 4-(2-methyl-10H-benzo[b]thieno[2,3-e][1,4]diazepin-4-yl)piperazine-1-carboxylate
• 英文别名: ethyl 4-(2-methyl-10H-thieno[2,3-b][1,5]benzodiazepin-4-yl)piperazine-1-carboxylate
• CAS: 1428146-26-2
• 化学式: C₁₉H₂₂N₄O₂S
• 分子量: 370.475
• InChiKey: OBBOUHGKHHUTEX-UHFFFAOYSA-N

物化性质

• 沸点：
  544.8±60.0 °C(Predicted)
• 密度：
  1.36±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  85.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 4-(2-methyl-10H-benzo[b]thieno[2,3-e][1,4]diazepin-4-yl)piperazine-1-carboxylate 在 potassium hydroxide 作用下， 以 乙醇 为溶剂， 反应 28.0h， 以73%的产率得到2-甲基-4-(1-哌嗪基)-10H-噻吩并[2,3-b][1,5]苯并二氮杂卓
  参考文献：
  名称：

  [11C]Olanzapine, radiosynthesis and lipophilicity of a new potential PET 5-HT2 and D2 receptor radioligand

  摘要：

  Olanzapine and its precursor desmethyl-Olanzapine were synthesized from malononitrile, propionaldehyde, 1-fluoro-2-nitrobenzene, and substituted piperazine in 4, 4, 5, and 5 steps with 35%, 32%, 26%, and 32% overall chemical yield, respectively. [C-11]Olanzapine was prepared from desmethyl-Olanzapine with [C-11]CH3OTf through N-[C-11]methylation and isolated by HPLC combined with solid-phase extraction (SPE) in 40-50% radiochemical yield based on [C-11]CO2 and decay corrected to end of bombardment (EOB), with 370-740 GBq/mu mol specific activity at EOB. The calculated Log P (C Log P) value of [C-11]Olanzapine is 3.39. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.02.045
• 作为产物：
  描述：

  2-氨基-3-氰基-5-甲基噻吩 在 盐酸 、 tin(II) chloride dihdyrate 、 sodium hydride 作用下， 以 四氢呋喃 、 乙醇 、 水 、 二甲基亚砜 、 甲苯 、 mineral oil 为溶剂， 反应 39.0h， 生成 ethyl 4-(2-methyl-10H-benzo[b]thieno[2,3-e][1,4]diazepin-4-yl)piperazine-1-carboxylate
  参考文献：
  名称：

  [11C]Olanzapine, radiosynthesis and lipophilicity of a new potential PET 5-HT2 and D2 receptor radioligand

  摘要：

  Olanzapine and its precursor desmethyl-Olanzapine were synthesized from malononitrile, propionaldehyde, 1-fluoro-2-nitrobenzene, and substituted piperazine in 4, 4, 5, and 5 steps with 35%, 32%, 26%, and 32% overall chemical yield, respectively. [C-11]Olanzapine was prepared from desmethyl-Olanzapine with [C-11]CH3OTf through N-[C-11]methylation and isolated by HPLC combined with solid-phase extraction (SPE) in 40-50% radiochemical yield based on [C-11]CO2 and decay corrected to end of bombardment (EOB), with 370-740 GBq/mu mol specific activity at EOB. The calculated Log P (C Log P) value of [C-11]Olanzapine is 3.39. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.02.045

文献信息

• A pharmaceutical formulation containing olanzapine
  申请人：Actavis Group PTC ehf.

  公开号：EP2343058A2

  公开（公告）日：2011-07-13

  This invention relates to a stable pharmaceutical formulation containing olanzapine. The composition comprises olanzapine or a pharmaceutically acceptable salt thereof, one or more suitable pharmaceutical excipients and a compound of formula I and/or a compound of formula II: or a pharmaceutically acceptable salt thereof.

  本发明涉及一种含有奥氮平的稳定药物制剂。该组合物包含奥氮平或其药学上可接受的盐、一种或多种合适的药用辅料以及式 I 化合物和/或式 II 化合物： 或其药学上可接受的盐。
• Pharmaceutical Formulation
  申请人：Stefansson Stefan Einar

  公开号：US20090221560A1

  公开（公告）日：2009-09-03

  This invention relates to a stable pharmaceutical formulation containing olanzapine. The composition comprises olanzapine or a pharmaceutically acceptable salt thereof, one or more suitable pharmaceutical excipients and a compound of formula (I) and/or a compound of formula (II): or a pharmaceutically acceptable salt thereof.
• [EN] A PHARMACEUTICAL FORMULATION<br/>[FR] FORMULATION PHARMACEUTIQUE
  申请人：ACTAVIS GROUP PTC EHF

  公开号：WO2007052167A2

  公开（公告）日：2007-05-10

  [EN] This invention relates to a stable pharmaceutical formulation containing olanzapine. The composition comprises olanzapine or a pharmaceutically acceptable salt thereof, one or more suitable pharmaceutical excipients and a compound of formula (I) and/or a compound of formula (II): or a pharmaceutically acceptable salt thereof.
  [FR] L'invention concerne une formulation pharmaceutique stable contenant de l'olanzapine. Cette composition comprend de l'olanzapine ou un sel pharmaceutiquement acceptable de ce composé, un ou plusieurs excipients pharmaceutiques appropriés ainsi qu'un composé représenté par la formule (I) et/ou un composé représenté par la formule (II), ou un sel pharmaceutiquement acceptable de celui/ceux-ci.