biphenyl-2-ylcarbamic acid 1-[2-(4-{[(R)-2-(tert-butyldimethylsilanyloxy)-2-(3-formylamino-4-hydroxyphenyl)ethylamino]methyl}-2,5-dimethylphenylcarbamoyl)-ethyl]piperidin-4-yl ester | 953394-01-9

• 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: biphenyl-2-ylcarbamic acid 1-[2-(4-{[(R)-2-(tert-butyldimethylsilanyloxy)-2-(3-formylamino-4-hydroxyphenyl)ethylamino]methyl}-2,5-dimethylphenylcarbamoyl)-ethyl]piperidin-4-yl ester
• 英文别名: biphenyl-2-ylcarbamic acid 1-[2-(4-{[(R)-2-(tert-butyldimethylsilanyloxy)-2-(3-formylamino-4-hydroxyphenyl)ethylamino]-methyl}-2,5-dimethylphenylcarbamoyl)ethyl]piperidin-4-yl ester；[1-[3-[4-[[[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-2-(3-formamido-4-hydroxyphenyl)ethyl]amino]methyl]-2,5-dimethylanilino]-3-oxopropyl]piperidin-4-yl] N-(2-phenylphenyl)carbamate
• CAS: 953394-01-9
• 化学式: C₄₅H₅₉N₅O₆Si
• 分子量: 794.079
• InChiKey: OXDZCSKGGZZWHZ-WBCKFURZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.14
• 重原子数：
  57
• 可旋转键数：
  17
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  141
• 氢给体数：
  5
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  biphenyl-2-ylcarbamic acid 1-[2-(4-{[(R)-2-(tert-butyldimethylsilanyloxy)-2-(3-formylamino-4-hydroxyphenyl)ethylamino]methyl}-2,5-dimethylphenylcarbamoyl)-ethyl]piperidin-4-yl ester 在 triethylamine tris(hydrogen fluoride) 、 碳酸氢钠 作用下， 以 二氯甲烷 、 水 、 乙腈 、 三氟乙酸 为溶剂， 反应 48.5h， 生成 biphenyl-2-ylcarbamic acid 1-[2-(4-{[(R)-2-(3-formylamino-4-hydroxyphenyl)-2-hydroxyethylamino]methyl}-2,5-dimethylphenyl-carbamoyl)ethyl]piperidin-4-yl ester
  参考文献：
  名称：

  Dialkylphenyl compounds having beta2 adrenergic receptor agonist and muscarinic receptor antagonist activity

  摘要：

  本发明涉及式I的化合物：其中R1和R2如规范中定义，或其药用可接受的盐或溶剂或立体异构体。该发明还涉及包含这类化合物的药物组合物和配方，用于制备这类化合物的过程和中间体，以及使用这类化合物治疗肺部疾病，如慢性阻塞性肺病和哮喘等方法。

  公开号：

  US20070249675A1
• 作为产物：
  描述：

  biphenyl-2-ylcarbamic acid 1-[2-(4-{[(R)-2-(tert-butyldimethylsilanyloxy)-2-(3-formylamino-4-hydroxyphenyl)ethylimino]methyl}-2,5-dimethyl-phenylcarbamoyl)ethyl]piperidin-4-yl ester 在 氮气 、 铂 、 2-甲基四氢呋喃 、 thiopropyl 、 甲醇 、 碳酸氢钠 、 水 作用下， 以 2-甲基四氢呋喃 为溶剂， 25.0~30.0 ℃ 、45.96 MPa 条件下， 反应 28.42h， 以to provide biphenyl-2-ylcarbamic acid 1-[2-(4-{[(R)-2-(tert-butyldimethylsilanyloxy)-2-(3-formylamino-4-hydroxyphenyl)ethylamino]methyl}-2,5-dimethylphenylcarbamoyl)ethyl]piperidin-4-yl ester (80% recovery, about 96% purity)的产率得到biphenyl-2-ylcarbamic acid 1-[2-(4-{[(R)-2-(tert-butyldimethylsilanyloxy)-2-(3-formylamino-4-hydroxyphenyl)ethylamino]methyl}-2,5-dimethylphenylcarbamoyl)-ethyl]piperidin-4-yl ester
  参考文献：
  名称：

  Dialkylphenyl compounds having beta2 adrenergic receptor agonist and muscarinic receptor antagonist activity

  摘要：

  本发明涉及公式I的化合物：其中R1和R2如规范中所定义，或其药学上可接受的盐或溶剂或立体异构体。本发明还涉及含有这种化合物的制药组合物和配方，制备这种化合物的过程和中间体，以及使用这种化合物的方法，例如治疗肺部疾病，如慢性阻塞性肺疾病和哮喘。

  公开号：

  US07687521B2

文献信息

• Dialkylphenyl compounds having beta2 adrenergic receptor agonist and muscarinic receptor antagonist activity
  申请人：Colson Pierre-Jean

  公开号：US20070249675A1

  公开（公告）日：2007-10-25

  This invention relates to compounds of formula I: wherein R 1 and R 2 are as defined in the specification, or a pharmaceutically acceptable salt or solvate or stereoisomer thereof. The invention also relates to pharmaceutical compositions and combinations comprising such compounds, processes and intermediates for preparing such compounds, and methods of using such compound to, for example, treat pulmonary disorders, such as chronic obstructive pulmonary disease and asthma.

  本发明涉及式I的化合物：其中R1和R2如规范中定义，或其药用可接受的盐或溶剂或立体异构体。该发明还涉及包含这类化合物的药物组合物和配方，用于制备这类化合物的过程和中间体，以及使用这类化合物治疗肺部疾病，如慢性阻塞性肺病和哮喘等方法。
• CRYSTALLINE FORMS OF A DIMETHYLPHENYL COMPOUND
  申请人：BOLTON Jennifer

  公开号：US20110086881A1

  公开（公告）日：2011-04-14

  The invention relates to crystalline free base forms of biphenyl-2-ylcarbamic acid 1-[2-(4-[(R)-2-(3-formylamino-4-hydroxyphenyl)-2-hydroxyethylamino]methyl}-2,5-dimethylphenylcarbamoyl)ethyl]piperidin-4-yl ester or a solvate thereof. This invention also relates to pharmaceutical compositions containing or prepared from such crystalline forms; processes and intermediates useful for preparing such crystalline forms; and methods of using such crystalline forms to, for example, treat a pulmonary disorder.

  本发明涉及二苯基-2-基氨基甲酸1-[2-(4-[(R)-2-(3-甲酰氨基-4-羟基苯基)-2-羟基乙基氨基]甲基}-2,5-二甲基苯基甲酰)乙基]哌啶-4-酯或其溶剂的结晶无水基形式。本发明还涉及含有或由这种结晶形式制备的制药组合物；用于制备这种结晶形式的有用中间体和工艺；以及使用这种结晶形式治疗肺部疾病等方法。
• DIALKYLPHENYL COMPOUNDS HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY
  申请人：Colson Pierre-Jean

  公开号：US20100137603A1

  公开（公告）日：2010-06-03

  This invention relates to compounds of formula I: wherein R 1 and R 2 are as defined in the specification, or a pharmaceutically acceptable salt or solvate or stereoisomer thereof. The invention also relates to pharmaceutical compositions and combinations comprising such compounds, processes and intermediates for preparing such compounds, and methods of using such compound to, for example, treat pulmonary disorders, such as chronic obstructive pulmonary disease and asthma.

  本发明涉及I式化合物： 其中R1和R2如本说明书所定义，或其药学上可接受的盐、溶剂或立体异构体。本发明还涉及包括这种化合物的药物组合物和制备这种化合物的中间体和过程，以及使用这种化合物的方法，例如用于治疗肺部疾病，如慢性阻塞性肺疾病和哮喘。
• Crystalline forms of a dimethylphenyl compound
  申请人：Bolton Jennifer

  公开号：US20070249674A1

  公开（公告）日：2007-10-25

  The invention relates to crystalline free base forms of biphenyl-2-ylcarbamic acid 1-[2-(4-[(R)-2-(3-formylamino-4-hydroxyphenyl)-2-hydroxyethylamino]methyl}-2,5-dimethylphenylcarbamoyl)ethyl]piperidin-4-yl ester or a solvate thereof. This invention also relates to pharmaceutical compositions containing or prepared from such crystalline forms; processes and intermediates useful for preparing such crystalline forms; and methods of using such crystalline forms to, for example, treat a pulmonary disorder.

  该发明涉及联苯基-2-基氨基甲酸1-[2-(4-[(R)-2-(3-甲酰氨基-4-羟基苯基)-2-羟乙基氨基]甲基}-2,5-二甲基苯基甲酰)乙基]哌啶-4-基酯的结晶游离碱形式或其溶剂合物。该发明还涉及含有或由这种结晶形式制备的药物组合物；用于制备这种结晶形式的有用中间体和过程；以及使用这种结晶形式来治疗肺部疾病等方法。
• Dialkylphenyl compounds having β2 adrenergic receptor agonist and muscarinic receptor antagonist activity
  申请人：Theravance, Inc.

  公开号：US07524965B2

  公开（公告）日：2009-04-28

  This invention relates to compounds of formula I: wherein R1 and R2 are as defined in the specification, or a pharmaceutically acceptable salt or solvate or stereoisomer thereof. The invention also relates to pharmaceutical compositions and combinations comprising such compounds, processes and intermediates for preparing such compounds, and methods of using such compound to, for example, treat pulmonary disorders, such as chronic obstructive pulmonary disease and asthma.

  本发明涉及式I的化合物：其中R1和R2如规范中定义，或其药用盐、溶剂或立体异构体。本发明还涉及包含这种化合物的药物组合物和制剂，制备这种化合物的过程和中间体，以及使用这种化合物的方法，例如用于治疗肺部疾病，如慢性阻塞性肺疾病和哮喘。