2-methyl-N-((1E)-[(1S,2S)-2-methylcyclopropyl]methylidene)propane-2-sulfinamide | 889113-22-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 亚磺酸及其衍生物
• 英文名称: 2-methyl-N-((1E)-[(1S,2S)-2-methylcyclopropyl]methylidene)propane-2-sulfinamide
• 英文别名: (NE)-2-methyl-N-[[(1S,2S)-2-methylcyclopropyl]methylidene]propane-2-sulfinamide
• CAS: 889113-22-8
• 化学式: C₉H₁₇NOS
• 分子量: 187.306
• InChiKey: KBCQODFCMNIMHE-GYEDVUMTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  48.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-methyl-N-((1E)-[(1S,2S)-2-methylcyclopropyl]methylidene)propane-2-sulfinamide 在 二(三叔丁基膦)钯 盐酸 、 甲醇 、 potassium phosphate 作用下， 以 DMF (N,N-dimethyl-formamide) 、 乙醚 、 二氯甲烷 为溶剂， 反应 45.5h， 生成 tert-butyl (1R)-1-methyl-1-(2-{2-({(1S)-1-[(1S,2S)-2-methylcyclopropyl]ethyl}amino)-6-[methyl(methylsulfonyl)amino]pyridin-4-yl }-1,3-oxazol-5-yl)-2-phenylethylcarbamate
  参考文献：
  名称：

  [EN] 2, 4, 6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE
  [FR] COMPOSES DERIVES DE PYRIDYLE SUBSTITUES AUX POSITIONS 2, 4, 6 UTILES COMME INHIBITEURS DE LA BETA-SECRETASE DANS LE TRAITEMENT DE LA MALADIE D'ALZHEIMER

  摘要：

  本发明涉及2,4,6-取代吡啶衍生物化合物，这些化合物是β-分泌酶的抑制剂，可用于治疗涉及β-分泌酶的疾病，如阿尔茨海默病。该发明还涉及包含这些化合物的药物组合物以及在治疗涉及β-分泌酶的疾病中使用这些化合物和组合物。

  公开号：

  WO2005103043A1
• 作为产物：
  描述：

  (R)-(+)-叔丁基亚磺酰胺 在 对甲苯磺酸 、 copper(II) sulfate 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 21.5h， 以92%的产率得到2-methyl-N-((1E)-[(1S,2S)-2-methylcyclopropyl]methylidene)propane-2-sulfinamide
  参考文献：
  名称：

  Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of alzheimer's disease

  摘要：

  本发明涉及苯胺和吡啶胺衍生物化合物，这些化合物是β-分泌酶的抑制剂，并且在治疗涉及β-分泌酶的疾病，如阿尔茨海默病中有用。该发明还涉及包含这些化合物的药物组合物，以及在治疗涉及β-分泌酶的这类疾病中使用这些化合物和组合物。

  公开号：

  US20070142634A1

文献信息

• 2,3,4,6-Substituted Pyridyl Derivative Compounds Useful As Beta-Secretase Inhibitors For The Treatment Of Alzheimer's Disease
  申请人：Nantermet G. Philippe

  公开号：US20070293497A1

  公开（公告）日：2007-12-20

  The present invention is directed to 2,3,4,6-substituted pyridyl derivative compounds which are inhibitors of the beta-secretase enzyme and that are useful in the treatment of diseases in which the beta-secretase enzyme is involved, such as Alzheimer's disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the treatment of such diseases in which the beta-secretase enzyme is involved.

  本发明涉及2,3,4,6-取代吡啶衍生物化合物，它们是β-分泌酶酶的抑制剂，并且在治疗β-分泌酶酶参与的疾病如阿尔茨海默病方面有用。本发明还涉及包含这些化合物的制药组合物，以及在治疗β-分泌酶酶参与的这些疾病方面使用这些化合物和组合物。
• 2,4,6-Substituted Pyridyl Derivative Compounds Useful as Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease
  申请人：Barrow C. James

  公开号：US20080015233A1

  公开（公告）日：2008-01-17

  The present invention is directed to 2,4,6-substituted pyridyl derivative compounds which are inhibitors of the beta-secretase enzyme and that are useful in the treatment of diseases in which the beta-secretase enzyme is involved, such as Alzheimer's disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the treatment of such diseases in which the beta-secretase enzyme is involved.

  本发明涉及2,4,6-取代吡啶衍生物化合物，其是beta-分泌酶酶的抑制剂，可用于治疗涉及beta-分泌酶酶的疾病，如阿尔茨海默病。本发明还涉及包含这些化合物的制药组合物以及这些化合物和组合物在涉及beta-分泌酶酶的这种疾病的治疗中的使用。
• Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of Alzheimer's disease
  申请人：Merck & Co., Inc.

  公开号：US07550481B2

  公开（公告）日：2009-06-23

  The present invention is directed to phenylamide and pyridylamide derivative compounds of which are inhibitors of the beta-secretase enzyme and that are useful in the treatment of diseases in which the beta-secretase enzyme is involved, such as Alzheimer's disease. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the treatment of such diseases in which the beta-secretase enzyme is involved.

  本发明涉及苯基酰胺和吡啶基酰胺衍生物化合物，其是β-分泌酶酶的抑制剂，可用于治疗β-分泌酶酶涉及的疾病，如阿尔茨海默病。本发明还涉及包含这些化合物的制药组合物以及这些化合物和组合物在治疗β-分泌酶酶涉及的疾病中的使用。
• PHENYLAMIDE AND PYRIDYLAMIDE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP1697308B1

  公开（公告）日：2014-03-19
• 2, 4, 6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP1740581B1

  公开（公告）日：2012-08-22