Tert-butyl 4-[4-methyl-1-(propan-2-ylamino)pentan-2-yl]piperazine-1-carboxylate | 757974-14-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: Tert-butyl 4-[4-methyl-1-(propan-2-ylamino)pentan-2-yl]piperazine-1-carboxylate
• CAS: 757974-14-4
• 化学式: C₁₈H₃₇N₃O₂
• 分子量: 327.511
• InChiKey: VUBXWSWXMJAGEL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  44.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Tert-butyl 4-[4-methyl-1-(propan-2-ylamino)pentan-2-yl]piperazine-1-carboxylate 、 2,5-二氧代吡咯烷-1-羧酸苄酯 在 碳酸氢钠 作用下， 以 二氯甲烷 、 水 、 正庚烷 、 异丙醇 为溶剂， 反应 16.0h， 生成 、
  参考文献：
  名称：

  Optimization of privileged structures for selective and potent melanocortin subtype-4 receptor ligands

  摘要：

  Design, syntheses and structure-activity relationships of N-acetylated piperazine privileged structures containing MC4R agonist compounds were described. The most potent derivatives were low nM MC4R selective full agonists. Several compounds from the series had modest pharmacokinetic properties. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.038

文献信息

• US7160886B2
  申请人：——

  公开号：US7160886B2

  公开（公告）日：2007-01-09
• Optimization of privileged structures for selective and potent melanocortin subtype-4 receptor ligands
  作者：Qingmei Hong、Raman K. Bakshi、James Dellureficio、Shuwen He、Zhixiong Ye、Peter H. Dobbelaar、Iyassu K. Sebhat、Liangqin Guo、Jian Liu、Tianying Jian、Rui Tang、Rubana N. Kalyani、Tanya MacNeil、Aurawan Vongs、Charles I. Rosenblum、David H. Weinberg、Qingping Peng、Constantin Tamvakopoulos、Randy R. Miller、Ralph A. Stearns、Doreen Cashen、Willian J. Martin、Airu S. Chen、Joseph M. Metzger、Howard Y. Chen、Allison M. Strack、Tung M. Fong、Euan Maclntyre、Lex H.T. Van der Ploeg、Matthew J. Wyvratt、Ravi P. Nargund

  DOI：10.1016/j.bmcl.2010.06.038

  日期：2010.8

  Design, syntheses and structure-activity relationships of N-acetylated piperazine privileged structures containing MC4R agonist compounds were described. The most potent derivatives were low nM MC4R selective full agonists. Several compounds from the series had modest pharmacokinetic properties. (C) 2010 Elsevier Ltd. All rights reserved.