C-(1-benzo[1,3]dioxol-5-yl-cyclopentyl)-methylamine | 40691-79-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: C-(1-benzo[1,3]dioxol-5-yl-cyclopentyl)-methylamine
• 英文别名: 5-[1-(aminomethyl)cyclopentyl]-1,3-dioxaindane；1-(1,3-Benzodioxol-5-yl)cyclopentanemethanamine；[1-(1,3-benzodioxol-5-yl)cyclopentyl]methanamine
• CAS: 40691-79-0
• 化学式: C₁₃H₁₇NO₂
• mdl: MFCD10691047
• 分子量: 219.283
• InChiKey: SBSKIHXCZWXAHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.538
• 拓扑面积：
  44.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-苯并呋喃-2-羰酰氯 、 C-(1-benzo[1,3]dioxol-5-yl-cyclopentyl)-methylamine 在 三乙胺 作用下， 以 1,4-二氧六环 为溶剂， 反应 15.0h， 以17.8%的产率得到benzofuran-2-carboxylic acid (1-benzo[1,3]dioxol-5-yl-cyclopentylmethyl)-amide
  参考文献：
  名称：

  [EN] MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CONTAINING CYCLOALKYL OR PYRANYL GROUPS
  [FR] MODULATEURS DES TRANSPORTEURS DES CASSETTES DE FIXATION DE L'ATP

  摘要：

  公开号：

  WO2005035514A3

文献信息

• Discovery of novel 5-hydroxy-4-pyridone-3-carboxy acids as potent inhibitors of influenza Cap-dependent endonuclease
  作者：Masayoshi Miyagawa、Toshiyuki Akiyama、Minako Mikamiyama-Iwata、Kazunari Hattori、Naoko Kurihara、Yoshiyuki Taoda、Chika Takahashi-Kageyama、Noriyuki Kurose、Hidenori Mikamiyama、Naoyuki Suzuki、Kenji Takaya、Kenji Tomita、Kenji Matsuo、Kenji Morimoto、Ryu Yoshida、Takao Shishido、Tomokazu Yoshinaga、Akihiko Sato、Makoto Kawai

  DOI：10.1016/j.bmcl.2016.08.038

  日期：2016.10

  We report the discovery of a novel series of influenza Cap-dependent EndoNuclease (CEN) inhibitors based on the 4-pyridone-carboxylic acid (PYXA) scaffold, which were found from our chelate library. Our SAR research revealed the lipophilic domain to be the key to CEN inhibition. In particular, the position between the chelate and the lipophilic domain in the derivatives was essential for enhancing

  我们报告发现了一种新型的基于4-吡啶酮-羧酸（PYXA）支架的流感帽依赖性核酸内切酶（CEN）抑制剂系列，该抑制剂是从我们的螯合物库中发现的。我们的SAR研究表明，亲脂性域是CEN抑制的关键。特别地，在衍生物中的螯合物和亲脂性结构域之间的位置对于增强效力是必不可少的。我们基于虚拟模型的研究导致2y被鉴定为有效的CEN抑制剂，IC50为5.12nM。
• Modulators of ATP-binding cassette transporters
  申请人：Hadida Ruah S. Sara

  公开号：US20050148648A1

  公开（公告）日：2005-07-07

  The present invention provides compounds of Formula I useful as modulators of ABC transporter activity, or a pharmaceutically acceptable salt thereof, wherein R B , n, B, R C , R D , R E , A, and Z are described generally and in classes and subclasses below. The present invention also provides pharmaceutical compositions, methods and kits associated with Formula I, useful for as modulators, and for the treatments of disease and disease conditions associated with ABC transporter proteins.

  本发明提供了公式I的化合物，作为ABC转运蛋白活性调节剂或其药学上可接受的盐，其中RB、n、B、RC、RD、RE、A和Z如下所述。本发明还提供了与公式I相关的制药组合物、方法和试剂盒，用于作为调节剂，并用于治疗与ABC转运蛋白相关的疾病和疾病状况。
• MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS
  申请人：Hadida-Ruah Sara S.

  公开号：US20120035179A1

  公开（公告）日：2012-02-09

  The present invention provides compounds of Formula I useful as modulators of ABC transporter activity, or a pharmaceutically acceptable salt thereof, wherein R B , n, B, R C , R D , R E , A, and Z are described generally and in classes and subclasses below. The present invention also provides pharmaceutical compositions, methods and kits associated with Formula I, useful for as modulators, and for the treatments of disease and disease conditions associated with ABC transporter proteins.

  本发明提供了I式化合物，其作为ABC转运蛋白活性调节剂或其药学上可接受的盐有用，其中RB、n、B、RC、RD、RE、A和Z通常在以下类别和子类别中描述。本发明还提供了与I式相关的制药组合物、方法和工具包，有用于调节剂和用于治疗与ABC转运蛋白相关的疾病和疾病条件。
• Modulators of ATP-Binding Cassette Transporters
  申请人：Hadida Ruah Sara S.

  公开号：US20100125090A1

  公开（公告）日：2010-05-20

  The present invention provides compounds of Formula I useful as modulators of ABC transporter activity, or a pharmaceutically acceptable salt thereof, wherein R B , n, B, R C , R D , R E , A, and Z are described generally and in classes and subclasses below. The present invention also provides pharmaceutical compositions, methods and kits associated with Formula I, useful for as modulators, and for the treatments of disease and disease conditions associated with ABC transporter proteins.

  本发明提供了公式I的化合物，它们可用作ABC转运蛋白活性调节剂或其药学上可接受的盐，其中RB、n、B、RC、RD、RE、A和Z通常和在下面的类和亚类中描述。本发明还提供了与公式I相关的制药组合物、方法和工具包，可用于作为调节剂，并用于治疗与ABC转运蛋白相关的疾病和疾病状况。
• Urea derivatives and their use as acat inhibitors
  申请人：NISSHIN FLOUR MILLING CO., LTD.

  公开号：EP0625507A2

  公开（公告）日：1994-11-23

  Urea derivatives of formula (I) wherein the valuable groups are as defined in the specification, which possess both an ACAT inhibitory activity and an antioxidative activity. Those derivatives are useful in the prophylaxis and treatment of hypercholesterolemia and atherosclerosis.

  式 (I) 的脲衍生物 其中有价基团如说明书中所定义，具有 ACAT 抑制活性和抗氧化活性。这些衍生物可用于预防和治疗高胆固醇血症和动脉粥样硬化。