diethyl 2,2-[N-(tert-butoxycarbonyl)-amino]-(thien-3-ylmethyl)malonate | 849622-91-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: diethyl 2,2-[N-(tert-butoxycarbonyl)-amino]-(thien-3-ylmethyl)malonate
• 英文别名: Diethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(thiophen-3-ylmethyl)propanedioate
• CAS: 849622-91-9
• 化学式: C₁₇H₂₅NO₆S
• 分子量: 371.455
• InChiKey: GUHPLZFGCMLWSM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  25
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  119
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  diethyl 2,2-[N-(tert-butoxycarbonyl)-amino]-(thien-3-ylmethyl)malonate 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 1.25h， 生成 tert-butyl 2-hydroxy-1-(hydroxymethyl)-1-(thien-3-ylmethyl)ethylcarbamate
  参考文献：
  名称：

  [EN] BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE
  [FR] INHIBITEURS DE TYPE BENZYLETHER ET BENZYLAMINO DE BETA-SECRETASE POUR LE TRAITEMENT DE LA MALADIE D'ALZHEIMER

  摘要：

  公开号：

  WO2005032471A3
• 作为产物：
  描述：

  3-溴甲基噻吩 、 二乙基(Boc-氨基)乙酯 在 sodium ethanolate 作用下， 以 乙醇 为溶剂， 反应 14.08h， 生成 diethyl 2,2-[N-(tert-butoxycarbonyl)-amino]-(thien-3-ylmethyl)malonate
  参考文献：
  名称：

  [EN] BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE
  [FR] INHIBITEURS DE TYPE BENZYLETHER ET BENZYLAMINO DE BETA-SECRETASE POUR LE TRAITEMENT DE LA MALADIE D'ALZHEIMER

  摘要：

  公开号：

  WO2005032471A3

文献信息

• Benzylether and benzylamino beta-secretase inhibitors for the treatment of alzheimer's disease
  申请人：Nantermet G. Philippe

  公开号：US20060293380A1

  公开（公告）日：2006-12-28

  The present invention is directed to compounds of formula (I) 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.

  本发明涉及式(I)的化合物，它们是beta-分泌酶酶的抑制剂，可用于治疗beta-分泌酶酶参与的疾病，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beta-分泌酶酶参与的疾病中的应用。
• BENZYLETHER AND BENZYLAMINO BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE
  申请人：Nantermet Philippe G.

  公开号：US20100210693A1

  公开（公告）日：2010-08-19

  The present invention is directed to 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.

  本发明涉及一类抑制β-分泌酶酶的化合物，这些化合物在治疗β-分泌酶酶参与的疾病，例如阿尔茨海默病中有用。本发明还涉及包含这些化合物的药物组合物，以及在治疗β-分泌酶酶参与的这些疾病中使用这些化合物和组合物的用途。
• EP1673078A4
  申请人：——

  公开号：EP1673078A4

  公开（公告）日：2007-04-18
• US7829597B2
  申请人：——

  公开号：US7829597B2

  公开（公告）日：2010-11-09
• US8008315B2
  申请人：——

  公开号：US8008315B2

  公开（公告）日：2011-08-30