{[(3,3-dimethoxycyclobutyl)methoxy]methyl}benzene | 583830-08-4

• 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: {[(3,3-dimethoxycyclobutyl)methoxy]methyl}benzene
• 英文别名: (3,3-dimethoxycyclobutyl)methoxymethylbenzene
• CAS: 583830-08-4
• 化学式: C₁₄H₂₀O₃
• 分子量: 236.311
• InChiKey: MXXNBOJOWZJBSL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  {[(3,3-dimethoxycyclobutyl)methoxy]methyl}benzene 在 盐酸 作用下， 以 甲醇 、 水 为溶剂， 生成 3-((苄氧基)甲基)环丁酮
  参考文献：
  名称：

  CE-156811（一种二氟苯基环丙基氟醚）的发现及其构效关系：一种源自潮霉素 A 的新型强效抗菌类似物

  摘要：

  对各种改性潮霉素 A 氟烷基醚的 SAR 研究和优化，发现了高效的 4'-(2-环丙基-2-氟乙基醚) 抗菌剂 CE-156811 ()，该抗菌剂源自核糖环的截短和二氟化讨论了潮霉素 A 中发现的苯基。

  DOI：

  10.1016/j.bmcl.2010.11.022
• 作为产物：
  描述：

  溴甲苯 、 3,3-二甲氧基环丁基甲醇 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 {[(3,3-dimethoxycyclobutyl)methoxy]methyl}benzene
  参考文献：
  名称：

  CE-156811（一种二氟苯基环丙基氟醚）的发现及其构效关系：一种源自潮霉素 A 的新型强效抗菌类似物

  摘要：

  对各种改性潮霉素 A 氟烷基醚的 SAR 研究和优化，发现了高效的 4'-(2-环丙基-2-氟乙基醚) 抗菌剂 CE-156811 ()，该抗菌剂源自核糖环的截短和二氟化讨论了潮霉素 A 中发现的苯基。

  DOI：

  10.1016/j.bmcl.2010.11.022

文献信息

• Histamine-3 receptor modulators
  申请人：Wager T. Travis

  公开号：US20050171181A1

  公开（公告）日：2005-08-04

  This invention is directed to a compound of the formula I as defined herein, or a pharmaceutically acceptable salt thereof; a pharmaceutical composition containing a compound of formula I, a method of treatment of a disorder or condition that may be treated by modulating histamine H3 receptors, the method comprising administering to a mammal in need of such treatment a compound of formula I as described above, and a method of treatment of a disorder or condition selected from the group consisting of depression, mood disorders, schizophrenia, anxiety disorders, Alzheimer's disease, attention-deficit hyperactivity disorder (ADHD), psychotic disorders, sleep disorders, obesity, dizziness, epilepsy, motion sickness, respiratory diseases, allergy, allergy-induced airway responses, allergic rhinitis, nasal congestion, allergic congestion, congestion, hypotension, cardiovascular disease, diseases of the GI tract, hyper and hypo motility and acidic secretion of the gastro-intestinal tract, the method comprising administering to a mammal in need of such treatment a compound of formula I as described above.

  这项发明涉及以下公式I的化合物，或其药学上可接受的盐；含有公式I化合物的药物组合物；一种治疗可能通过调节组胺H3受体而治疗的紊乱或症状的方法，该方法包括向需要此类治疗的哺乳动物施用上述公式I的化合物；以及一种治疗来自包括抑郁症、情绪障碍、精神分裂症、焦虑障碍、阿尔茨海默病、注意力缺陷多动障碍（ADHD）、精神障碍、睡眠障碍、肥胖症、头晕、癫痫、晕动病、呼吸道疾病、过敏、过敏引起的气道反应、过敏性鼻炎、鼻塞、过敏性充血、充血、低血压、心血管疾病、胃肠道疾病、胃肠道高低运动性和酸性分泌的疾病或症状的方法，该方法包括向需要此类治疗的哺乳动物施用上述公式I的化合物。
• [EN] HISTAMINE-3 RECEPTOR MODULATORS<br/>[FR] MODULATEURS DU RECEPTEUR DE L'HISTAMINE-3
  申请人：PFIZER PROD INC

  公开号：WO2005080361A1

  公开（公告）日：2005-09-01

  This invention is directed to a compound of the formula (I) as defined herein, or a pharmaceutically acceptable salt thereof; a pharmaceutical composition containing a compound of formula (I), a method of treatment of a disorder or condition that may be treated by modulating histamine H3 receptors, the method comprising administering to a mammal in need of such treatment a compound of formula (I) as described above, and a method of treatment of a disorder or condition selected from the group consisting of depression, mood disorders, schizophrenia, anxiety disorders, Alzheimer's disease, attention-deficit hyperactivity disorder (ADHD), psychotic disorders, sleep disorders, obesity, dizziness, epilepsy, motion sickness, respiratory diseases, allergy, allergy-induced airway responses, allergic rhinitis, nasal congestion, allergic congestion, congestion, hypotension, cardiovascular disease, diseases of the GI tract, hyper and hypo motility and acidic secretion of the gastro-intestinal tract, the method comprising administering to a mammal in need of such treatment a compound of formula (I) as described above.

  本发明涉及公式（I）所定义的化合物或其药学上可接受的盐；包含公式（I）化合物的制药组合物；一种治疗可能通过调节组织胺H3受体治疗的疾病或病症的方法，该方法包括向需要此类治疗的哺乳动物投予上述公式（I）的化合物；以及治疗来自以下疾病或病症组的疾病或病症的方法：抑郁症、情绪障碍、精神分裂症、焦虑症、阿尔茨海默病、注意力缺陷多动障碍（ADHD）、精神病性疾病、睡眠障碍、肥胖症、头晕、癫痫、晕动病、呼吸系统疾病、过敏、过敏性气道反应、过敏性鼻炎、鼻塞、过敏性充血、充血、低血压、心血管疾病、胃肠道疾病、胃肠道高低运动和酸性分泌，该方法包括向需要此类治疗的哺乳动物投予上述公式（I）的化合物。
• Discovery of Two Clinical Histamine H₃ Receptor Antagonists: <i>trans</i>-<i>N</i>-Ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidinylmethyl)phenyl]cyclobutanecarboxamide (PF-03654746) and <i>trans</i>-3-Fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-<i>N</i>-(2-methylpropyl)cyclobutanecarboxamide (PF-03654764)
  作者：Travis T. Wager、Betty A. Pettersen、Anne W. Schmidt、Douglas K. Spracklin、Scot Mente、Todd W. Butler、Harry Howard、Daniel J. Lettiere、David M. Rubitski、Diane F. Wong、Frank M. Nedza、Frederick R. Nelson、Hans Rollema、Jeffrey W. Raggon、Jiri Aubrecht、Jody K. Freeman、John M. Marcek、Julie Cianfrogna、Karen W. Cook、Larry C. James、Linda A. Chatman、Philip A. Iredale、Michael J. Banker、Michael L. Homiski、Jennifer B. Munzner、Rama Y. Chandrasekaran

  DOI：10.1021/jm200939b

  日期：2011.11.10

  The discovery of two histamine H-3 antagonist clinical candidates is disclosed. The pathway to identification of the two clinical candidates, 6 (PF-03654746) and 7 (PF-03654764) required five hypothesis driven design cycles. The key to success in identifying these clinical candidates was the development of a compound design strategy that leveraged medicinal chemistry knowledge and traditional assays in conjunction with computational and in vitro safety tools. Overall, clinical compounds 6 and 7 exceeded conservative safety margins and possessed optimal pharmacological and pharmacokinetic profiles, thus achieving our initial goal of identifying compounds with fully aligned oral drug attributes, "best-in-class" molecules.
• HISTAMINE-3 RECEPTOR MODULATORS
  申请人：Pfizer Products Incorporated

  公开号：EP1720847A1

  公开（公告）日：2006-11-15
• US7115600B2
  申请人：——

  公开号：US7115600B2

  公开（公告）日：2006-10-03