4(S)-(3-hydroxy-2,2-dimethyl-propyl)-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester | 177198-40-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 4(S)-(3-hydroxy-2,2-dimethyl-propyl)-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester
• 英文别名: 3-tert-butoxycarbonyl-2,2-dimethyl-4(S)-(3-hydroxy-2,2-dimethylpropyl)-1,3-oxazolidine；(S)-tert-butyl 4-(3-hydroxy-2,2-dimethylpropyl)-2,2-dimethyloxazolidine-3-carboxylate；tert-butyl (4S)-4-(3-hydroxy-2,2-dimethylpropyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
• CAS: 177198-40-2
• 化学式: C₁₅H₂₉NO₄
• 分子量: 287.4
• InChiKey: WKOWACWMFFJBMA-NSHDSACASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  59
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4(S)-(3-hydroxy-2,2-dimethyl-propyl)-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester 在 甲基磺酰氯 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 13.0h， 生成 4(S)-(3-methanesulfonyloxy-2,2-dimethyl-propyl)-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  [EN] AMINO ALCOHOL DERIVATIVES AND THEIR USE AS RENIN INHIBITORS
  [FR] COMPOSES ORGANIQUES

  摘要：

  公开号：

  WO2005070870A3
• 作为产物：
  描述：

  methyl 3-[3-tert-butoxycarbonyl-2,2-dimethyl-1,3-oxazolidine-4(S)-yl]-2,2-dimethyl-propionate 在 sodium hydroxide 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 生成 4(S)-(3-hydroxy-2,2-dimethyl-propyl)-2,2-dimethyl-oxazolidine-3-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  2,9-diamino- and 2-amino-8-carbamoyl-4-hydroxy-alkanoic acid amide

  摘要：

  公式I的化合物##STR1##中，其中R.sub.1是芳基氨基，N-芳基-N-(较低烷氧基-较低烷基)-氨基，N-芳基-N-芳基-较低烷基-氨基或通过环碳原子连接的杂环基，X是羰基或亚甲基基团，R.sub.2和R.sub.3彼此独立地是氢或较低烷基，或者与它们连接的碳原子一起是环烷基亚甲基基团，R.sub.4是氢，较低烷基，较低烷酰基或较低烷氧羰基，R.sub.5是羟基，较低烷酰氧基或较低烷氧羰氧基，R.sub.6是氢，较低烷基，较低烯基，较低炔基，环烷基，环烷基-较低烷基，芳基-较低烷基或杂环芳基-较低烷基，在杂环芳基环中有5到7个环原子，R.sub.7是氢或较低烷基，或者R.sub.6和R.sub.7与它们连接的碳原子一起是环烷基亚甲基基团，R.sub.8表示脂肪，环脂肪-脂肪或杂环脂肪基团，它们的盐可用作治疗高血压药物的活性成分。

  公开号：

  US05719141A1

文献信息

• Aspartic Protease Inhibitors
  申请人：Baldwin John J.

  公开号：US20100048636A1

  公开（公告）日：2010-02-25

  The present invention is directed to aspartic protease inhibitors. Certain aspartic protease inhibitors of the invention can be represented by the following structural formula or a pharmaceutically acceptable salt thereof. The present invention is also directed to pharmaceutical compositions comprising the disclosed aspartic protease inhibitors. The present invention is further directed to methods of antagonizing one or more aspartic proteases in a subject in need thereof, and methods for treating an aspartic protease mediated disorder in a subject using the disclosed aspartic protease inhibitors.

  本发明涉及天冬氨酸蛋白酶抑制剂。本发明所述的某些天冬氨酸蛋白酶抑制剂可以用以下结构式或其药学上可接受的盐来表示。本发明还涉及包括所述天冬氨酸蛋白酶抑制剂的药物组合物。本发明还涉及在需要拮抗一种或多种天冬氨酸蛋白酶的主体中的方法，以及使用所述天冬氨酸蛋白酶抑制剂治疗天冬氨酸蛋白酶介导的疾病的方法。
• Amino Alcohol Derivatives And Their Use As Renin Inhibitor
  申请人：Herold Peter

  公开号：US20090118281A1

  公开（公告）日：2009-05-07

  The application relates to novel amino alcohols of the general formula (I) where R, R 1 , R 2 , R 3 , R 4 , R 5 and R 6 each have the definitions illustrated in detail in the description, to a process for their preparation and to the use of these compounds as medicines, in particular as renin inhibitors.

  该申请涉及一种新型氨基醇，其一般式为（I），其中R、R1、R2、R3、R4、R5和R6各自具有详细说明中所示的定义，以及其制备的方法和将这些化合物作为药物的用途，特别是作为肾素抑制剂。
• Amino alcohol derivatives and their use as renin inhibitor
  申请人：Novartis AG

  公开号：US07767690B2

  公开（公告）日：2010-08-03

  The application relates to novel amino alcohols of the general formula (I) where R, R1, R2, R3, R4, R5 and R6 each have the definitions illustrated in detail in the description, to a process for their preparation and to the use of these compounds as medicines, in particular as renin inhibitors.

  该申请涉及一种新型氨基醇，其通式为（I），其中R、R1、R2、R3、R4、R5和R6各自具有详细说明中所示的定义，以及其制备方法和将这些化合物用作药物的用途，特别是作为肾素抑制剂。
• Piperidinyl carbamate intermediates for the synthesis of aspartic protease inhibitors
  申请人：Baldwin John J.

  公开号：US08487108B2

  公开（公告）日：2013-07-16

  The present invention is directed to aspartic protease inhibitors. Certain aspartic protease inhibitors of the invention can be represented by the following structural formula or a pharmaceutically acceptable salt thereof. The present invention is also directed to pharmaceutical compositions comprising the disclosed aspartic protease inhibitors. The present invention is further directed to methods of antagonizing one or more aspartic proteases in a subject in need thereof, and methods for treating an aspartic protease mediated disorder in a subject using the disclosed aspartic protease inhibitors.

  本发明涉及天冬氨酸蛋白酶抑制剂。本发明的某些天冬氨酸蛋白酶抑制剂可以用以下结构式或其药学上可接受的盐来表示。本发明还涉及包含所述天冬氨酸蛋白酶抑制剂的制药组合物。本发明还涉及在需要拮抗一种或多种天冬氨酸蛋白酶的受体的主体中的方法，以及使用所述天冬氨酸蛋白酶抑制剂治疗天冬氨酸蛋白酶介导的疾病的方法。
• AMINO ALCOHOL DERIVATIVES AND THEIR USE AS RENIN INHIBITORS
  申请人：Speedel Experimenta AG

  公开号：EP1711456A2

  公开（公告）日：2006-10-18