4-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-N-(2-methoxy-2-methylpropyl)-5-oxospiro[4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline-7,1'-cyclopentane]-3-carboxamide | 1342835-69-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-N-(2-methoxy-2-methylpropyl)-5-oxospiro[4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinoline-7,1'-cyclopentane]-3-carboxamide
• CAS: 1342835-69-1
• 化学式: C₃₃H₃₆FN₅O₃
• 分子量: 569.679
• InChiKey: OKCZGVHGDSDMOE-VAWYXSNFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  42
• 可旋转键数：
  7
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  109
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• Pyridylvinylpyrazoloquinolines as PAR1 inhibitors
  申请人：SANOFI

  公开号：US20130040981A1

  公开（公告）日：2013-02-14

  The disclosure relates to compounds of formula I: wherein the groups R1, R2, R3, R4, R5 and X are as defined in the disclosure, having antithrombotic activity, which in particular inhibits the protease-activated receptor 1 (PAR1). The disclosure further relates to methods for producing the same and to the use thereof as a pharmaceutical product.

  该公开涉及式I的化合物： 其中，基团R1、R2、R3、R4、R5和X如公开所定义，具有抗血栓活性，特别是抑制蛋白酶激活受体1（PAR1）。该公开还涉及生产这些化合物的方法以及将其用作药物产品的用途。
• IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE
  申请人：Scott Jack D.

  公开号：US20140296222A1

  公开（公告）日：2014-10-02

  In its many embodiments, the present invention provides certain iminothiadiazine dioxide compounds, including compounds Formula (I): and include stereoisomers thereof, and pharmaceutically acceptable salts of said compounds stereoisomers, wherein each of R 1 , R 2 , R 3 , R 4 , R 5 , R 9 , ring A, ring B, m, n, p, -L 1 -, -L 2 -, and -L 3 - is selected independently and as defined herein. The novel iminothiadiazine dioxide compounds of the invention have surprisingly been found to exhibit properties which are expected to render them advantageous as BACE inhibitors and/or for the treatment and prevention of various pathologies related to β-amyloid (“Aβ”) production. Pharmaceutical compositions comprising one or more such compounds (alone and in combination with one or more other active agents), and methods for their preparation and use in treating pathologies associated with amyloid beta (Aβ) protein, including Alzheimer's disease, are also disclosed.

  在其多种实施方式中，本发明提供了某些亚氨基噻二嗪二氧化物化合物，包括化合物式(I)的化合物及其立体异构体和所述化合物立体异构体的药学上可接受的盐，其中R1、R2、R3、R4、R5、R9、环A、环B、m、n、p、-L1-、-L2-和-L3-各自独立选择并按定义选择。本发明的新型亚氨基噻二嗪二氧化物化合物出人意料地表现出具有预期使它们成为BACE抑制剂和/或用于治疗和预防与β-淀粉样蛋白（“Aβ”）产生相关的各种病理的性质。还公开了包含一个或多个此类化合物（单独和与一个或多个其他活性剂的组合）的制药组合物，以及用于治疗与淀粉样β蛋白（Aβ）蛋白相关的病理，包括阿尔茨海默病的方法。
• US8791133B2
  申请人：——

  公开号：US8791133B2

  公开（公告）日：2014-07-29