1-(2-氯苄基)高哌嗪 | 76141-88-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(2-氯苄基)高哌嗪
• 英文名称: 1-(2-Chlorobenzyl)-1,4-diazepane
• 英文别名: 1-[(2-chlorophenyl)methyl]-1,4-diazepane
• CAS: 76141-88-3
• 化学式: C₁₂H₁₇ClN₂
• 分子量: 224.733
• InChiKey: FTMQQFQWZMWCMG-UHFFFAOYSA-N

物化性质

• 熔点：
  54-56 °C
• 沸点：
  316.8±32.0 °C(Predicted)
• 密度：
  1.115±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(2-氯苄基)高哌嗪 、 6-氯-3-(三氟甲基)[1,2,4]噻唑并[4,3-b]吡嗪 在 crude product 、 水 、 乙腈 作用下， 以to give 6-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine的产率得到6-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
  参考文献：
  名称：

  BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155

  摘要：

  本发明涉及公式I的双环化合物，其中整数X1、X2、X3、环A、R4、R5和m如描述中所定义。本发明还涉及制备这种化合物的方法、包含它们的制药组合物以及它们在制造用于预防或治疗与雄激素受体相关疾病的药物中的应用。

  公开号：

  US20100016279A1

文献信息

• [EN] BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS<br/>[FR] DÉRIVÉS BICYCLIQUES DESTINÉS À ÊTRE UTILISÉS DANS LE TRAITEMENT D'AFFECTIONS ASSOCIÉES AU RÉCEPTEUR DES ANDROGÈNES
  申请人：ASTRAZENECA AB

  公开号：WO2009081197A1

  公开（公告）日：2009-07-02

  The invention concerns bicyclic compounds of Formula (I), wherein the integers X1, X2, X3, Ring A, R4, R5 and m are as defined in the description. The present invention also relates to processes for the preparation of such compounds, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use in the prevention or treatment of androgen-receptor associated conditions.

  该发明涉及式(I)的双环化合物，其中整数X1、X2、X3、环A、R4、R5和m的定义如描述中所示。本发明还涉及制备这些化合物的方法、含有它们的药物组合物以及它们在制备用于预防或治疗雄激素受体相关疾病的药物中的应用。
• BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155
  申请人：Bradbury Robert Hugh

  公开号：US20100016279A1

  公开（公告）日：2010-01-21

  The invention concerns bicyclic compounds of Formula I wherein the integers X 1 , X 2 , X 3 , Ring A, R 4 , R 5 and m are as defined in the description. The present invention also relates to processes for the preparation of such compounds, pharmaceutical compositions containing them and their use in the manufacture of a medicament for use in the prevention or treatment of androgen-receptor associated conditions.

  本发明涉及公式I的双环化合物，其中整数X1、X2、X3、环A、R4、R5和m如描述中所定义。本发明还涉及制备这种化合物的方法、包含它们的制药组合物以及它们在制造用于预防或治疗与雄激素受体相关疾病的药物中的应用。
• Synthesis of 2-(4-substituted benzyl-1,4-diazepan-1-yl)-N-(3,4-dihydro-3-oxo-2H-benzo[b][1,4]oxazin-7-yl)acetamides and their positive inotropic evaluation
  作者：Kun Yang、Liang-Peng Sun、Ji-Yong Liu、Xun Cui、Hu-Ri Piao

  DOI：10.1016/j.bmcl.2010.06.046

  日期：2010.8

  Herein we describe the discovery of compound 3g, a potent positive inotropic agent compared with the standard drug, milrinone. Compound 3g was developed from a series of 2-(4-substitutedbenzyl-1,4-diazepan- 1-yl)-N-(3,4-dihydro-3-oxo-2H-benzo[b][1,4] oxazin-7-yl) acetamides found in an evaluation of inotropic activity by measuring left atrium stroke volume on isolated rabbit heart preparations. Several compounds showed favorable activities, but 3g was the most potent, with 7.68 +/- 0.14% increased stroke volume (milrinone 2.38 +/- 0.05%) at 1 x 10 (5) M in our in vitro study. The chronotropic effects of compounds having significant inotropic effects were also evaluated. (C) 2010 Elsevier Ltd. All rights reserved.
• Synthesis and positive inotropic evaluation of N-(1-oxo-1,2,4,5-tetrahydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamides bearing piperazine and 1,4-diazepane moieties
  作者：Yan Wu、Long-Xu Ma、Tian-Wei Niu、Xun Cui、Hu-Ri Piao

  DOI：10.1016/j.bmcl.2012.05.049

  日期：2012.7

  Two series of N-(1-oxo-1,2,4,5-tetrahydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamides bearing piperazine and 1,4-diazepane moieties were synthesized and screened for their positive inotropic activity by measuring left atrium stroke volume on isolated rabbit heart preparations. Most of the derivatives exhibited better in vitro positive inotropic activity than the existing drug, milrinone, among which 2-(4-(4-chlorobenzyl)-1,4-diazepan-1-yl)-N-(1-oxo-1,2,4,5-tetrahydro-[1,2,4] triazolo[4,3-a]quinolin-7-yl) acetamide 6c proved to be the most potent with 15.48 +/- 0.27% increased stroke volume (milrinone: 2.46 +/- 0.07%) at a concentration of 3 x 10 (5) M. The chronotropic effects of the compounds that exhibited inotropic effects were also evaluated. (C) 2012 Elsevier Ltd. All rights reserved.
• BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS
  申请人：AstraZeneca AB

  公开号：EP2235010A1

  公开（公告）日：2010-10-06