Cis phenylmethyl-4-[4-(1,3-benzodioxol-5-yl)-4-hydroxy-1-cyclohexyl]-1-piperazine carboxylate | 150019-58-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Cis phenylmethyl-4-[4-(1,3-benzodioxol-5-yl)-4-hydroxy-1-cyclohexyl]-1-piperazine carboxylate
• CAS: 150019-58-2
• 化学式: C₂₅H₃₀N₂O₅
• 分子量: 438.524
• InChiKey: UTAIDTKVHPJTHV-IVHGUIJPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  32.0
• 可旋转键数：
  4.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  71.47
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  Cis phenylmethyl-4-[4-(1,3-benzodioxol-5-yl)-4-hydroxy-1-cyclohexyl]-1-piperazine carboxylate 在 palladium on activated charcoal 氢气 、 potassium carbonate 作用下， 以 乙腈 为溶剂， 生成 1-Benzo[1,3]dioxol-5-yl-4-[4-(4-chloro-benzyl)-piperazin-1-yl]-cyclohexanol
  参考文献：
  名称：

  Development of a presynaptic 5-HT1A antagonist

  摘要：

  A new 5-HT1A silent antagonist 14 (5-HT1A IC50 = 2.2 nM) antagonizes the effects of agonists on reciprocal forepaw treading behavior, on neuronal firing in the rat dorsal raphe, and on 5-HT1A release in the raphe and hippocampus. While 14 alone was inactive in the social interaction paradigm, it completely reversed the social interaction activity of the serotonergic compounds (buspirone, 1, and 2). (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00879-x
• 作为产物：
  描述：

  1,4-环己二酮单乙二醇缩酮 在 titanium(IV) isopropylate 、 盐酸 、 sodium tetrahydroborate 作用下， 以 四氢呋喃 为溶剂， 生成 Cis phenylmethyl-4-[4-(1,3-benzodioxol-5-yl)-4-hydroxy-1-cyclohexyl]-1-piperazine carboxylate
  参考文献：
  名称：

  Development of a presynaptic 5-HT1A antagonist

  摘要：

  A new 5-HT1A silent antagonist 14 (5-HT1A IC50 = 2.2 nM) antagonizes the effects of agonists on reciprocal forepaw treading behavior, on neuronal firing in the rat dorsal raphe, and on 5-HT1A release in the raphe and hippocampus. While 14 alone was inactive in the social interaction paradigm, it completely reversed the social interaction activity of the serotonergic compounds (buspirone, 1, and 2). (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00879-x

文献信息

• Piperazinyl-cyclohexanes and cyclohexenes
  申请人：Bristol-Myers Squibb Company

  公开号：US06153611A1

  公开（公告）日：2000-11-28

  Novel non-dopaminergic antiischemic compounds have Formula I: ##STR1## wherein R=R.sub.1 and is independently H, C.sub.1-4 alky C.sub.1-4 alkoxy, C.sub.1-4 trihaloalkyl or halogen, or R and R.sub.1 may be taken together to form an --O(CH.sub.2).sub.m O-- (m=1 or 2); X=a 3-indolyl, phenyl, naphthalenyl or 2-benzothiazolyl residue; n=0, 1, 2 or 3; ##STR2## R.sub.2 =R.sub.3 and is independently H or C.sub.1-4 alkyl; and R.sub.4 =phenyl, 2-thienyl, 2-quinolinyl, 4-pyridinyl or substituted phenyl.

  新型非多巴胺抗缺血化合物的化学式为：##STR1## 其中 R=R.sub.1，独立地为 H、C.sub.1-4 烷基、C.sub.1-4 烷氧基、C.sub.1-4 三卤代烷基或卤素，或者 R 和 R.sub.1 可以结合形成 --O(CH.sub.2).sub.m O-- (m=1 或 2)；X=3-吲哚基、苯基、萘基或 2-苯并噻唑基残基；n=0、1、2 或 3；##STR2## R.sub.2 =R.sub.3，独立地为 H 或 C.sub.1-4 烷基；而 R.sub.4 =苯基、2-噻吩基、2-喹啉基、4-吡啶基或取代苯基。