tert-butyl N-[2-[2-(4-hydroxybutyl)phenyl]ethyl]carbamate | 918958-57-3

• 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: tert-butyl N-[2-[2-(4-hydroxybutyl)phenyl]ethyl]carbamate
• CAS: 918958-57-3
• 化学式: C₁₇H₂₇NO₃
• 分子量: 293.406
• InChiKey: KZMISXXWKFREJO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  21
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  58.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[2-[2-(4-hydroxybutyl)phenyl]ethyl]carbamate 、 、 Boc-D-缬氨酸 、 N-tert-butoxycarbonyl-L-norvaline 生成 (6S,9R,12R)-12-[(4-hydroxyphenyl)methyl]-9-propan-2-yl-6-propyl-4,7,10,13-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-5,8,11-trione
  参考文献：
  名称：

  Discovery of a New Class of Macrocyclic Antagonists to the Human Motilin Receptor

  摘要：

  A novel class of macrocyclic peptidomimetics was identified and optimized as potent antagonists to the human motilin receptor (hMOT-R). Well-defined structure-activity relationships allowed for rapid optimization of potency that eventually led to high affinity antagonists to hMOT-R. Potency and antagonist functional activity were confirmed both in functional and cell-based assays, as well as on isolated rabbit intestinal smooth muscle strips. Rapid access to this novel class of macrocyclic target structures was made possible through two efficient and complementary solid-phase parallel synthetic approaches, both of which are reported herein.

  DOI：

  10.1021/jm0606600
• 作为产物：
  描述：

  邻溴苯乙胺 在 platinum(IV) oxide 、 二异丙胺 copper(l) iodide 、 二(氰基苯)二氯化钯 、 三叔丁基膦 、 氢气 、 碳酸氢钠 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 乙醇 、 正己烷 、 水 为溶剂， 20.0 ℃ 、551.58 kPa 条件下， 反应 40.0h， 生成 tert-butyl N-[2-[2-(4-hydroxybutyl)phenyl]ethyl]carbamate
  参考文献：
  名称：

  Discovery of a New Class of Macrocyclic Antagonists to the Human Motilin Receptor

  摘要：

  A novel class of macrocyclic peptidomimetics was identified and optimized as potent antagonists to the human motilin receptor (hMOT-R). Well-defined structure-activity relationships allowed for rapid optimization of potency that eventually led to high affinity antagonists to hMOT-R. Potency and antagonist functional activity were confirmed both in functional and cell-based assays, as well as on isolated rabbit intestinal smooth muscle strips. Rapid access to this novel class of macrocyclic target structures was made possible through two efficient and complementary solid-phase parallel synthetic approaches, both of which are reported herein.

  DOI：

  10.1021/jm0606600

文献信息

• MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES
  申请人：Marsault Éric

  公开号：US20120270807A1

  公开（公告）日：2012-10-25

  The present invention relates to novel macrocyclic compounds and salts thereof that bind to and/or are inhibitors of serine protease enzymes. The present invention also relates to intermediates of these compounds, pharmaceutical compositions containing these compounds and methods of using the compounds. These compounds are useful as therapeutics for treatment and prevention of a range of disease indications including hyperproliferative disorders, in particular those characterized by tumor metastasis, inflammatory disorders, skin and tissue disorders, cardiovascular disorders, respiratory disorders and viral infections.

  本发明涉及新型大环化合物及其盐，它们能结合和/或抑制丝氨酸蛋白酶酶。本发明还涉及这些化合物的中间体，含有这些化合物的制药组合物以及使用这些化合物的方法。这些化合物可用于治疗和预防一系列疾病指标，包括增生性疾病，特别是那些以肿瘤转移为特征的疾病，炎症性疾病，皮肤和组织疾病，心血管疾病，呼吸系统疾病和病毒感染。
• METHODS OF USING MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES
  申请人：Marsault Éric

  公开号：US20120270769A1

  公开（公告）日：2012-10-25

  The present invention relates to novel macrocyclic compounds and salts thereof that bind to and/or are inhibitors of serine protease enzymes and methods of using the compounds. The present invention also relates to intermediates of these compounds, pharmaceutical compositions containing these compounds and methods of using the same. These compounds are useful as therapeutics for treatment and prevention of a range of disease indications including hyperproliferative disorders, in particular those characterized by tumor metastasis, inflammatory disorders, skin and tissue disorders, cardiovascular disorders, respiratory disorders and viral infections.

  本发明涉及新型大环化合物及其盐，这些化合物与/或抑制丝氨酸蛋白酶酶的结合，并使用这些化合物的方法。本发明还涉及这些化合物的中间体、含有这些化合物的制药组合物以及使用它们的方法。这些化合物可用作治疗和预防一系列疾病指标的治疗剂，包括高增殖性疾病，特别是肿瘤转移、炎症性疾病、皮肤和组织疾病、心血管疾病、呼吸系统疾病和病毒感染。
• [EN] METHODS OF USING MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES<br/>[FR] MÉTHODES D'UTILISATION D'INHIBITEURS MACROCYCLIQUES DES ENZYMES SÉRINE PROTÉASES
  申请人：TRANZYME PHARMA INC

  公开号：WO2011050276A1

  公开（公告）日：2011-04-28

  The present invention relates to novel macrocyclic compounds and salts thereof that bind to and/or are inhibitors of serine protease enzymes and methods of using the compounds. The present invention also relates to intermediates of these compounds, pharmaceutical compositions containing these compounds and methods of using the same. These compounds are useful as therapeutics for treatment and prevention of a range of disease indications including hyperproliferative disorders, in particular those characterized by tumor metastasis, inflammatory disorders, skin and tissue disorders, cardiovascular disorders, respiratory disorders and viral infections.
• [EN] MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES<br/>[FR] INHIBITEURS MACROCYCLIQUES DES ENZYMES DE PROTÉASE DE SÉRINE
  申请人：TRANZYME PHARMA INC

  公开号：WO2011050270A2

  公开（公告）日：2011-04-28

  The present invention relates to novel macrocyclic compounds and salts thereof that bind to and/or are inhibitors of serine protease enzymes. The present invention also relates to intermediates of these compounds, pharmaceutical compositions containing these compounds and methods of using the compounds. These compounds are useful as therapeutics for treatment and prevention of a range of disease indications including hyperproliferative disorders, in particular those characterized by tumor metastasis, inflammatory disorders, skin and tissue disorders, cardiovascular disorders, respiratory disorders and viral infections.
• Discovery of a New Class of Macrocyclic Antagonists to the Human Motilin Receptor
  作者：Eric Marsault、Hamid R. Hoveyda、Mark L. Peterson、Carl Saint-Louis、Annick Landry、Martin Vézina、Luc Ouellet、Zhigang Wang、Mahesh Ramaseshan、Sylvie Beaubien、Kamel Benakli、Sophie Beauchemin、Robert Déziel、Theo Peeters、Graeme L. Fraser

  DOI：10.1021/jm0606600

  日期：2006.11.30

  A novel class of macrocyclic peptidomimetics was identified and optimized as potent antagonists to the human motilin receptor (hMOT-R). Well-defined structure-activity relationships allowed for rapid optimization of potency that eventually led to high affinity antagonists to hMOT-R. Potency and antagonist functional activity were confirmed both in functional and cell-based assays, as well as on isolated rabbit intestinal smooth muscle strips. Rapid access to this novel class of macrocyclic target structures was made possible through two efficient and complementary solid-phase parallel synthetic approaches, both of which are reported herein.