[1-(11-oxoundecyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate | 1309750-69-3

• 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: [1-(11-oxoundecyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
• CAS: 1309750-69-3
• 化学式: C₂₉H₄₀N₂O₃
• 分子量: 464.648
• InChiKey: AYMRUZCSNONPHZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  34
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [1-(11-oxoundecyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate 在 20 % Pd(OH)2/C 、 氢气 、 三乙酰氧基硼氢化钠 作用下， 以 甲醇 、 乙醇 、 二氯甲烷 为溶剂， 生成 1-(11-Aminoundecyl)piperidin-4-yl biphenyl-2-ylcarbamate
  参考文献：
  名称：

  Discovery of muscarinic acetylcholine receptor antagonist and beta 2 adrenoceptor agonist (MABA) dual pharmacology molecules

  摘要：

  We sought to design dual pharmacology bronchodilators targeting both the M-3 muscarinic acetylcholine and beta-2 adrenergic (beta(2)) receptors by applying our multivalent approach to drug discovery. Herein, we describe our initial discovery and the SAR of the first such compounds with matched potencies at both receptors. (C) 2011 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2011.01.043
• 作为产物：
  描述：

  [1,1'-联苯]-2-基氨基甲酸4-哌啶基酯 在 三氧化硫吡啶 、 二甲基亚砜 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 [1-(11-oxoundecyl)piperidin-4-yl] N-(2-phenylphenyl)carbamate
  参考文献：
  名称：

  Discovery of muscarinic acetylcholine receptor antagonist and beta 2 adrenoceptor agonist (MABA) dual pharmacology molecules

  摘要：

  We sought to design dual pharmacology bronchodilators targeting both the M-3 muscarinic acetylcholine and beta-2 adrenergic (beta(2)) receptors by applying our multivalent approach to drug discovery. Herein, we describe our initial discovery and the SAR of the first such compounds with matched potencies at both receptors. (C) 2011 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2011.01.043

文献信息

• BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS
  申请人：Mu YongQi

  公开号：US20100093753A1

  公开（公告）日：2010-04-15

  The invention provides compounds of formula I: wherein a, b, c, m, n, q, r, W, Z 1 , Ar 1 , Z 2 , Y, R 1 , R 2 , and R 3 are as defined in the specification. The compounds of formula I are muscarinic receptor antagonists. The invention also provides pharmaceutical compositions containing such compounds, processes and intermediates for preparing such compounds and methods of using such compounds to treat pulmonary disorders.

  本发明提供了式I的化合物：其中a、b、c、m、n、q、r、W、Z1、Ar1、Z2、Y、R1、R2和R3如规范中定义。式I的化合物是肌肉型受体拮抗剂。本发明还提供了含有这种化合物的制药组合物，制备这种化合物的方法和中间体，以及使用这种化合物治疗肺部疾病的方法。
• US8133905B2
  申请人：——

  公开号：US8133905B2

  公开（公告）日：2012-03-13
• Discovery of muscarinic acetylcholine receptor antagonist and beta 2 adrenoceptor agonist (MABA) dual pharmacology molecules
  作者：Adam D. Hughes、Kay H. Chin、Sarah L. Dunham、Jeffrey R. Jasper、Kristin E. King、Tae Weon Lee、Mathai Mammen、Jerri Martin、Tod Steinfeld

  DOI：10.1016/j.bmcl.2011.01.043

  日期：2011.3

  We sought to design dual pharmacology bronchodilators targeting both the M-3 muscarinic acetylcholine and beta-2 adrenergic (beta(2)) receptors by applying our multivalent approach to drug discovery. Herein, we describe our initial discovery and the SAR of the first such compounds with matched potencies at both receptors. (C) 2011 Published by Elsevier Ltd.