{1-[(benzyloxy)methyl]cyclobutyl}methanol | 568591-39-9

• 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: {1-[(benzyloxy)methyl]cyclobutyl}methanol
• 英文别名: 1-(benzyloxymethyl)cyclobutanemethanol；(1(benzyloxymethyl)cyclobutyl)methanol；(1-((Benzyloxy)methyl)cyclobutyl)methanol；[1-(phenylmethoxymethyl)cyclobutyl]methanol
• CAS: 568591-39-9
• 化学式: C₁₃H₁₈O₂
• 分子量: 206.285
• InChiKey: PBOGAIMGTSWVER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  {1-[(benzyloxy)methyl]cyclobutyl}methanol 在 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 7.0h， 生成 {1-[(benzyloxy)methyl]cyclobutyl}acetonitrile
  参考文献：
  名称：

  Ketoamide-Based Inhibitors of Cysteine Protease, Cathepsin K:  P3 Modifications

  摘要：

  Osteoporosis is a disease characterized by skeletal fragility. Cathepsin K, a lysosomal cysteine protease, has been implicated in the osteoclast mediated bone resorption. Inhibitors of this protease could potentially treat this skeletal disease. The present work describes exploration of the spatial requirements of the S3 subsite by the use of various sterically demanding P3 substituents. Sulfur and oxygen linked heterocycles as well as those without heteroatom linkers were found to provide potent inhibitors of cathepsin K. Representative examples from these series also afforded quite good selectivity ratios against most cathepsins tested. The tolerability of the S3 subsite for sterically demanding groups that provide potency and selectivity enhances the attractiveness of P3 changes to improve the physiochemical properties of inhibitors in the developments of compounds for the treatment of osteoporosis.

  DOI：

  10.1021/jm040107n
• 作为产物：
  描述：

  1,1-环丁烷-乙二酸二乙酯 在 lithium aluminium tetrahydride 、 sodium hydride 作用下， 以 四氢呋喃 、 乙醚 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.5h， 生成 {1-[(benzyloxy)methyl]cyclobutyl}methanol
  参考文献：
  名称：

  Ketoamide-Based Inhibitors of Cysteine Protease, Cathepsin K:  P3 Modifications

  摘要：

  Osteoporosis is a disease characterized by skeletal fragility. Cathepsin K, a lysosomal cysteine protease, has been implicated in the osteoclast mediated bone resorption. Inhibitors of this protease could potentially treat this skeletal disease. The present work describes exploration of the spatial requirements of the S3 subsite by the use of various sterically demanding P3 substituents. Sulfur and oxygen linked heterocycles as well as those without heteroatom linkers were found to provide potent inhibitors of cathepsin K. Representative examples from these series also afforded quite good selectivity ratios against most cathepsins tested. The tolerability of the S3 subsite for sterically demanding groups that provide potency and selectivity enhances the attractiveness of P3 changes to improve the physiochemical properties of inhibitors in the developments of compounds for the treatment of osteoporosis.

  DOI：

  10.1021/jm040107n

文献信息

• PYRAZOLE COMPOUNDS
  申请人：FUKUMOTO Shoji

  公开号：US20100094000A1

  公开（公告）日：2010-04-15

  The present invention relates to wherein each symbol is as defined in the specification. The compound has a superior mineralocorticoid receptor antagonistic action and is useful as an agent for the prophylaxis or treatment of a disease or condition mediated by the mineralocorticoid receptor activation.

  本发明涉及其中每个符号如规范中定义的。该化合物具有优越的矿物皮质激素受体拮抗作用，并可用作通过矿物皮质激素受体激活介导的疾病或病况的预防或治疗剂。
• SUBSTITUTED TRICYCLICS AND METHOD OF USE
  申请人：AbbVie S.à.r.l.

  公开号：US20170015675A1

  公开（公告）日：2017-01-19

  The present invention provides for compounds of formula (I) wherein X, Y, and R 1 have any of the values defined in the specification, and pharmaceutically acceptable salts thereof, that are useful as agents in the treatment of diseases and conditions mediated and modulated by CFTR, including cystic fibrosis, Sjögren's syndrome, pancreatic insufficiency, chronic obstructive lung disease, and chronic obstructive airway disease. Also provided are pharmaceutical compositions comprised of one or more compounds of formula (I).

  本发明提供了一种具有以下结构的化合物（I），其中X、Y和R1具有规范中定义的任何值，以及其药学上可接受的盐，这些化合物在治疗由CFTR介导和调节的疾病和症状中是有用的，包括囊性纤维化、Sjögren综合征、胰腺功能不全、慢性阻塞性肺病和慢性阻塞性气道疾病。还提供了由一个或多个具有结构（I）的化合物组成的药物组合物。
• Biologically active compounds
  申请人：Quibell Martin

  公开号：US20090131502A1

  公开（公告）日：2009-05-21

  The present invention relates to compounds of formula (I), and pharmaceutically acceptable salts thereof. The invention further relates to pharmaceutical compositions comprising compounds of formula (I), and the use of such compounds in the treatment of a disease selected from osteoporosis, Paget's disease, Chagas's disease, malaria, gingival diseases, hypercalaemia, metabolic bone disease and diseases involving matrix or cartilate degradation.

  本发明涉及式(I)的化合物及其药学上可接受的盐。本发明还涉及含有式(I)的化合物的药物组合物，以及将这些化合物用于治疗从骨质疏松症、帕盖特病、查加斯病、疟疾、牙龈疾病、高钙血症、代谢性骨病和涉及基质或软骨降解的疾病中选择的疾病。
• BENZAMIDE COMPOUND
  申请人：Astellas Pharma Inc.

  公开号：EP2511265A1

  公开（公告）日：2012-10-17

  [Problem] A compound which is useful as a GK activator is provided. [Means for Solution] The present inventors have conducted studies on compounds having a GK activating action, which are promising as active ingredients of pharmaceutical compositions for the treatment of diabetes, type 2 diabetes mellitus, obesity, metabolic syndrome and related diseases caused by the aforementioned diseases, and as a result, they have confirmed that a benzamide compound of the present invention has an excellent GK activating action, thereby completing the present invention. That is, the benzamide compound of the present invention has a GK activating action and can be used as an agent for preventing and/or treating diabetes, type 2 diabetes mellitus, obesity, metabolic syndrome, and related diseases caused by the aforementioned diseases.

  提供一种作为GK激活剂有用的化合物。本发明人对具有GK激活作用的化合物进行了研究，这些化合物被认为是治疗糖尿病、2型糖尿病、肥胖、代谢综合征以及由上述疾病引起的相关疾病的药物组合的有效成分，并且结果表明，本发明的苯甲酰胺化合物具有出色的GK激活作用，从而完成了本发明。换句话说，本发明的苯甲酰胺化合物具有GK激活作用，可用作预防和/或治疗糖尿病、2型糖尿病、肥胖、代谢综合征以及由上述疾病引起的相关疾病的药剂。
• RhI-Catalyzed [6+2] Cycloaddition of Alkyne-Allenylcyclobutanes: A New Entry for the Synthesis of Bicyclo[6.m.0] Skeletons
  作者：Fuyuhiko Inagaki、Katsuya Sugikubo、Yuki Oura、Chisato Mukai

  DOI：10.1002/chem.201101441

  日期：2011.8.8

  Bicyclo under construction! The [RhCl(dppp)2]‐catalyzed intramolecular [6+2] cycloisomerization of alkyne–allenylcyclobutanes efficiently produced bicyclo[6.4.0]dodecatriene and bicyclo[6.3.0]undecatriene skeletons (see scheme). Straightforward cleavage of the unfunctionalized simple cyclobutane and construction of the bicyclo[6.m.0] frameworks could be achieved under mild conditions.

  双环正在建设中！[RhCl（dppp）2 ]催化的炔烃-烯基环丁烷的分子内[6 + 2]环异构化有效地产生了双环[6.4.0]十二碳三烯和双环[6.3.0]十二碳三烯骨架（参见方案）。未官能化的简单环丁烷的直接裂解和双环[6.m.0]骨架的构建可以在温和的条件下完成。