(2R)-1-[(1S)-1-[4-(1,3-benzodioxol-5-ylsulfonyl)phenyl]ethyl]-2-methylpiperazine | 203180-27-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: (2R)-1-[(1S)-1-[4-(1,3-benzodioxol-5-ylsulfonyl)phenyl]ethyl]-2-methylpiperazine
• CAS: 203180-27-2
• 化学式: C₂₀H₂₄N₂O₄S
• 分子量: 388.488
• InChiKey: NRIVWVGKFLINHO-CABCVRRESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  76.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (2R)-1-[(1S)-1-[4-(1,3-benzodioxol-5-ylsulfonyl)phenyl]ethyl]-2-methylpiperazine 在 盐酸 、 三乙酰氧基硼氢化钠 作用下， 反应 3.0h， 生成 (R)-1-{(S)-1-[4-(Benzo[1,3]dioxole-5-sulfonyl)-phenyl]-ethyl}-2-methyl-4-piperidin-4-yl-piperazine
  参考文献：
  名称：

  Substituted 2-(R)-Methyl piperazines as muscarinic M2 selective ligands

  摘要：

  A novel series of 2-(R)-methyl-substituted piperazines (e.g.. 2) is described. They are potent M-2 selective ligands that have > 100-fold selectivity versus the M-1 receptor. In the rat microdialysis assay. compound 14 showed significantly enhanced levels of acetylcholine after oral administration. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00023-9
• 作为产物：
  描述：

  (R)-4-Boc-2-甲基哌嗪 在 盐酸 、 tetramethylpiperidine 作用下， 以 乙腈 为溶剂， 反应 19.0h， 生成 (2R)-1-[(1S)-1-[4-(1,3-benzodioxol-5-ylsulfonyl)phenyl]ethyl]-2-methylpiperazine
  参考文献：
  名称：

  Substituted 2-(R)-Methyl piperazines as muscarinic M2 selective ligands

  摘要：

  A novel series of 2-(R)-methyl-substituted piperazines (e.g.. 2) is described. They are potent M-2 selective ligands that have > 100-fold selectivity versus the M-1 receptor. In the rat microdialysis assay. compound 14 showed significantly enhanced levels of acetylcholine after oral administration. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00023-9

文献信息

• Substituted 2-(R)-Methyl piperazines as muscarinic M2 selective ligands
  作者：Joseph A Kozlowski、Guowei Zhou、Jayaram R Tagat、Sue-Ing Lin、Stuart W McCombie、Vilma B Ruperto、Ruth A Duffy、Robert A McQuade、Gordon Crosby、Lisa A Taylor、William Billard、Herbert Binch、Jean E Lachowicz

  DOI：10.1016/s0960-894x(02)00023-9

  日期：2002.3

  A novel series of 2-(R)-methyl-substituted piperazines (e.g.. 2) is described. They are potent M-2 selective ligands that have > 100-fold selectivity versus the M-1 receptor. In the rat microdialysis assay. compound 14 showed significantly enhanced levels of acetylcholine after oral administration. (C) 2002 Elsevier Science Ltd. All rights reserved.