S-[2-[(4S,4aS,10bS)-10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromen-4-yl]ethyl] ethanethioate | 1402428-39-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: S-[2-[(4S,4aS,10bS)-10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromen-4-yl]ethyl] ethanethioate
• CAS: 1402428-39-0
• 化学式: C₂₂H₂₁ClF₂O₅S₂
• 分子量: 502.988
• InChiKey: HWZXNOLHMAQXAD-BPXKWBHBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  103
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  S-[2-[(4S,4aS,10bS)-10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromen-4-yl]ethyl] ethanethioate 在 potassium methanolate 、 sulfur 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Design and synthesis of water soluble β-aminosulfone analogues of SCH 900229 as γ-secretase inhibitors

  摘要：

  In this paper we describe our strategy to improve the aqueous solubility of SCH 900229, a potent PS1-selective gamma-secretase inhibitor for the treatment of Alzheimer's disease. Incorporation of ionizable amino groups into the side chain terminal generates water soluble beta-aminosulfone analogues of SCH 900229 that maintain robust in vitro potency and in vivo efficacy. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2016.04.095
• 作为产物：
  描述：

  C₂₀H₁₉ClF₂O₅S 以 乙醇 、 二氯甲烷 为溶剂， 生成 S-[2-[(4S,4aS,10bS)-10b-(4-chlorophenyl)sulfonyl-7,10-difluoro-2,4,4a,5-tetrahydro-1H-pyrano[3,4-c]chromen-4-yl]ethyl] ethanethioate
  参考文献：
  名称：

  Design and synthesis of water soluble β-aminosulfone analogues of SCH 900229 as γ-secretase inhibitors

  摘要：

  In this paper we describe our strategy to improve the aqueous solubility of SCH 900229, a potent PS1-selective gamma-secretase inhibitor for the treatment of Alzheimer's disease. Incorporation of ionizable amino groups into the side chain terminal generates water soluble beta-aminosulfone analogues of SCH 900229 that maintain robust in vitro potency and in vivo efficacy. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2016.04.095

文献信息

• [EN] GAMMA SECRETASE INHIBITORS<br/>[FR] INHIBITEURS DE LA GAMMA-SECRÉTASE
  申请人：MERCK SHARP & DOHME

  公开号：WO2012138678A1

  公开（公告）日：2012-10-11

  Disclosed herein are compounds of Formula (I) and pharmaceutically acceptable salts thereof, wherein each of the substituents is given the definition as set forth in the specification and claims. Also disclosed are pharmaceutical compositions containing the compound of Formula (I) and use of the compound in the treatment of neurodegenerative diseases or conditions such as Alzheimer's disease.

  本文揭示了化合物的结构式（I）及其药用盐，其中每个取代基的定义如规范和索赔中所述。还揭示了含有结构式（I）化合物的药物组合物，以及该化合物在治疗神经退行性疾病或状况如阿尔茨海默病中的用途。
• [EN] GAMMA SECRETASE INHIBITORS<br/>[FR] INHIBITEURS DE GAMMA SÉCRÉTASE
  申请人：MERCK SHARP & DOHME

  公开号：WO2013036464A1

  公开（公告）日：2013-03-14

  Disclosed herein are compounds of Formula (I) (I) and pharmaceutically acceptable salts thereof, wherein each of the substituents is given the definition as set forth in the specification and claims. Also disclosed are pharmaceutical compositions containing the compound of Formula (I) and use of the compound in the treatment of neurodegenerative diseases or conditions such as Alzheimer's disease.

  本文披露了公式(I) (I)的化合物及其药学上可接受的盐，其中每个取代基的定义如规范和权利要求所述。还披露了含有公式(I)化合物的药物组合物以及使用该化合物治疗神经退行性疾病或病症，如阿尔茨海默病。
• GAMMA SECRETASE INHIBITORS
  申请人：Wu Wen-Lian

  公开号：US20140018342A1

  公开（公告）日：2014-01-16

  Disclosed herein are compounds of Formula (I) and pharmaceutically acceptable salts thereof, wherein each of the substituents is given the definition as set forth in the specification and claims. Also disclosed are pharmaceutical compositions containing the compound of Formula (I) and use of the compound in the treatment of neurodegenerative diseases or conditions such as Alzheimer's disease.
• US8933116B2
  申请人：——

  公开号：US8933116B2

  公开（公告）日：2015-01-13
• US9226927B2
  申请人：——

  公开号：US9226927B2

  公开（公告）日：2016-01-05