[3-[4-(3-Methoxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)pyridin-3-yl]methanone | 1562148-70-2

• 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: [3-[4-(3-Methoxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)pyridin-3-yl]methanone
• 英文别名: [3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)pyridin-3-yl]methanone
• CAS: 1562148-70-2
• 化学式: C₃₁H₃₀F₆N₄O₄
• 分子量: 636.594
• InChiKey: QXHBLOAUBGJOLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  45
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  75.2
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  Tert-butyl 1-benzyl-3-[4-(trifluoromethyl)phenoxy]piperidine-3-carboxylate 在 盐酸 、 palladium on activated charcoal 、 氢气 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 1,4-二氧六环 为溶剂， 生成 [3-[4-(3-Methoxyphenyl)piperazine-1-carbonyl]-3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(trifluoromethyl)pyridin-3-yl]methanone
  参考文献：
  名称：

  Substituted piperidines as HDM2 inhibitors

  摘要：

  Novel small molecule HDM2 inhibitor, substituted piperidine, was identified. Initial SAR study indicated potential for several position optimizations. Additional potency enhancement was achieved by introducing a sidechain off the aromatic ring. DMPK study of one of the active compounds has shown a moderate oral PK and reasonable bioavailability. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2014.01.026

文献信息

• Substituted piperidines as HDM2 inhibitors
  作者：Yao Ma、Brian R. Lahue、Gerald W. Shipps、Jeseca Brookes、Yaolin Wang

  DOI：10.1016/j.bmcl.2014.01.026

  日期：2014.2

  Novel small molecule HDM2 inhibitor, substituted piperidine, was identified. Initial SAR study indicated potential for several position optimizations. Additional potency enhancement was achieved by introducing a sidechain off the aromatic ring. DMPK study of one of the active compounds has shown a moderate oral PK and reasonable bioavailability. (C) 2014 Elsevier Ltd. All rights reserved.