(R)-N-(4-fluoro-3-(6-imino-2,4,7,7-tetramethyl-1,1-dioxido-1,2,5-thiadiazepan-4-yl)phenyl)-5-(prop-2-yn-1-yloxy)pyrazine-2-carboxamide

• 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: (R)-N-(4-fluoro-3-(6-imino-2,4,7,7-tetramethyl-1,1-dioxido-1,2,5-thiadiazepan-4-yl)phenyl)-5-(prop-2-yn-1-yloxy)pyrazine-2-carboxamide
• 英文别名: N-[3-[(4R)-6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl]-4-fluorophenyl]-5-prop-2-ynoxypyrazine-2-carboxamide
• 化学式: C₂₂H₂₅FN₆O₄S
• 分子量: 488.543
• InChiKey: IJKMXPBVUFGDLK-QFIPXVFZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  34
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  148
• 氢给体数：
  2
• 氢受体数：
  9

文献信息

• [EN] IMINOTHIADIAZEPANE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE<br/>[FR] COMPOSÉS DE DIOXYDE D'IMINOTHIADIAZÉPANE UTILISÉS EN TANT QU'INHIBITEURS DE BACE, COMPOSITIONS ET LEUR UTILISATION
  申请人：MERCK SHARP & DOHME

  公开号：WO2015095104A1

  公开（公告）日：2015-06-25

  In its many embodiments, the present invention provides certain iminothiadiazepane dioxide compounds, including compounds Formula (I): or a tautomers thereof, and pharmaceutically acceptable salts of said compounds and said tautomers, wherein RN, R1A, R1B, R2, R3, R4, ring A, RA, m, L1, and RL are as defined herein. The novel compounds of the invention are useful as BACE inhibitors and may be useful for the treatment and prevention of various pathologies related thereto. 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, including for the possible treatment of Alzheimer's disease, are also disclosed.

  在其多种实施方式中，本发明提供了某些咪唑二氧化硫代烷胺化合物，包括化合物式（I）：或其互变异构体，以及所述化合物及其互变异构体的药学上可接受的盐，其中RN、R1A、R1B、R2、R3、R4、环A、RA、m、L1和RL的定义如本文所述。本发明的新化合物可用作BACE抑制剂，并可能用于治疗和预防与之相关的各种病理。还公开了包括一种或多种这类化合物（单独和与一种或多种其他活性剂的组合）的药物组合物，以及其制备和使用的方法，包括可能用于治疗阿尔茨海默病的方法。
• IMINOTHIADIAZEPANE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP3082823B1

  公开（公告）日：2020-04-22
• Iminothiadiazepane Dioxide Compounds as BACE Inhibitors, Compositions, and Their Use
  申请人：DAI Xing

  公开号：US20170037056A1

  公开（公告）日：2017-02-09

  In its many embodiments, the present invention provides certain iminothiadiazepane dioxide compounds, including compounds Formula (I): or a tautomers thereof, and pharmaceutically acceptable salts of said compounds and said tautomers, wherein R N , R 1A , R 1B , R 2 , R 3 , R 4 , ring A, R A , m, -L 1 -, and R L are as defined herein. The novel compounds of the invention are useful as BACE inhibitors and may be useful for the treatment and prevention of various pathologies related thereto. 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, including for the possible treatment of Alzheimer's disease, are also disclosed.
• US9745324B2
  申请人：——

  公开号：US9745324B2

  公开（公告）日：2017-08-29