8-oxo-5-aza-spiro[2.5]octane-5,7-dicarboxylic acid 5-tert-butyl ester 7-methyl ester | 851314-35-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 8-oxo-5-aza-spiro[2.5]octane-5,7-dicarboxylic acid 5-tert-butyl ester 7-methyl ester
• 英文别名: 5-O-tert-butyl 7-O-methyl 8-oxo-5-azaspiro[2.5]octane-5,7-dicarboxylate
• CAS: 851314-35-7
• 化学式: C₁₄H₂₁NO₅
• 分子量: 283.324
• InChiKey: FKROEHPGERUXMJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  72.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  8-oxo-5-aza-spiro[2.5]octane-5,7-dicarboxylic acid 5-tert-butyl ester 7-methyl ester 在 四氢吡咯 、 异丙基溴化镁 、 sodium acetate 、 溶剂黄146 、 三乙胺 、 三氟乙酸 、 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 、 乙醚 、 二氯甲烷 、 甲苯 为溶剂， 反应 45.0h， 生成 (1'-(4-fluorophenyl)-6'-(2-methyl-2H-1,2,3-triazol-4-yl)sulfonyl-1',4',6',7'-tetrahydrospiro[cyclopropane-1,8'-pyrazolo[3,4-g]isoquinoline]-4a'(5'H)-yl)(4-(trifluoromethyl)pyridine-2-yl)methanone
  参考文献：
  名称：

  CN114907349

  摘要：

  公开号：
• 作为产物：
  描述：

  N-叔丁氧羰基-4-哌啶酮 在 potassium tert-butylate 、 叔丁醇 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 生成 8-oxo-5-aza-spiro[2.5]octane-5,7-dicarboxylic acid 5-tert-butyl ester 7-methyl ester
  参考文献：
  名称：

  New classes of potent and bioavailable human renin inhibitors

  摘要：

  New classes of de novo designed renin inhibitors are reported. Some of these compounds display excellent in vitro and in vivo activities toward human renin in a TGR model. The synthesis of these new types of mono- and bicyclic scaffolds are reported, and properties of selected compounds discussed. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.09.104

文献信息

• [EN] TETRAHYDROPYRIDINE DERIVATIVES<br/>[FR] DERIVES DE TETRAHYDROPYRIDINE
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2005040120A1

  公开（公告）日：2005-05-06

  The invention relates to novel tetrahydropyridine derivatives and use thereof as active ingredients in the preparation of pharmaceutical compositions. The invention also concerns related aspects including processes for the preparation of the compounds, pharmaceutical compositions containing one or more of those compounds and especially their use as inhibitors of renin. (I) wherein X and Y represent independently hydrogen, fluorine or a methyl group; X and Y do not represent both hydrogen at the same time or X and Y may together form a cyclopropyl ring; W represents a phenyl or a heteroaryl, the heteroaryl ring being a six-membered and non-fused ring, the phenyl ring and the heteroaryl are substituted with V in position 3 or 4; A and B independently represent -O-;-S-;-SO- or -SO2-; U represents aryl or heteroaryl; T represents -CONR1-;-(CH2)pOCO-; -(CH2)pN(R1)CO-; -(CH2)pN(R1)SO2-; -COO-; -(CH2)pOCONR1 - or -(CH2) pN(R2)CONR1-; R1 and R2 independently respresent hydrogen; lower alkyl; lower alkenyl; lower alkynil; cycloalkyl; aryl-lower alkyl, heteroaryl-lower alkyl or cycloalkyl - lower alkyl; Q represents lower alkylene or lower alkenylene; M represents hydrogen; cycloalkyl; aryl; heterocyclyl or heteroaryl:

  本发明涉及新型的四氢吡啶衍生物及其作为活性成分用于制备药物组合物中的应用。本发明还涉及相关方面，包括制备这些化合物的方法、含有一种或多种这些化合物的药物组合物，尤其是它们作为肾素抑制剂的应用。其中，X和Y分别独立地代表氢、氟或甲基；X和Y不同时代表氢，或者X和Y可以共同形成一个环丙基环；W代表苯基或杂芳基，杂芳基环是一个六元非融合环，苯基环和杂芳基在3或4位置被V取代；A和B独立地代表- O-；-S-；-SO-或-SO2-；U代表芳基或杂芳基；T代表-CONR1-；-(CH2)pOCO-；-( )pN(R1)CO-；-( )pN(R1)SO2-；-COO-；-( )pOCONR1-或-( )pN(R2)CONR1-；R1和R2分别独立地代表氢；低级烷基；低级烯基；低级炔基；环烷基；芳基低级烷基，杂芳基低级烷基或环烷基低级烷基；Q代表低级烷基或低级烯基；M代表氢；环烷基；芳基；杂环基或杂芳基：
• Novel Tetrahydropyridine Derivatives
  申请人：Bezencon Olivier

  公开号：US20080234305A1

  公开（公告）日：2008-09-25

  The invention relates to novel tetrahydropyridine derivatives and use thereof as active ingredients in the preparation of pharmaceutical compositions. The invention also concerns related aspects including processes for the preparation of the compounds, pharmaceutical compositions containing one or more of those compounds and especially their use as inhibitors of renin. (I) wherein X and Y represent independently hydrogen, fluorine or a methyl group; X and Y do not represent both hydrogen at the same time or X and Y may together form a cyclopropyl ring; W represents a phenyl or a heteroaryl, the heteroaryl ring being a six-membered and non-fused ring, the phenyl ring and the heteroaryl are substituted with V in position 3 or 4; A and B independently represent —O—; —S—; —SO— or —SO 2 —; U represents aryl or heteroaryl; T represents —CONR 1 —; —(CH 2 ) p OCO—; —(CH 2 ) p N(R 1 )CO—; —(CH 2 ) p N(R 1 )SO 2 —; —COO—; —(CH 2 ) p OCONR 1 — or —(CH 2 ) p N(R 2 )CONR 1 —; R 1 and R 2 independently represent hydrogen; lower alkyl; lower alkenyl; lower alkynil; cycloalkyl; aryl-lower alkyl, heteroaryl-lower alkyl or cycloalkyl-lower alkyl; Q represents lower alkylene or lower alkenylene; M represents hydrogen; cycloalkyl; aryl; heterocyclyl or heteroaryl:

  本发明涉及新型四氢吡啶衍生物及其在制备药物组合物中作为活性成分的应用。本发明还涉及相关方面，包括制备该化合物的过程、含有其中一种或多种化合物的药物组合物，特别是它们作为肾素抑制剂的用途。其中X和Y分别表示氢、氟或甲基基团；X和Y不能同时表示氢，或X和Y可以共同形成环丙基环；W表示苯基或杂环芳基，杂环芳基环是一个六元非融合环，苯环和杂环芳基在3或4位被V取代；A和B独立地表示—O—；—S—；—SO—或—SO2—；U表示芳基或杂环芳基；T表示—CONR1—；—（CH2）pOCO—；—（ ）pN（R1）CO—；—（ ）pN（R1）SO2—；—COO—；—（ ）pOCONR1—或—（ ）pN（R2）CONR1—；R1和R2独立地表示氢；低碳基；低碳烯基；低碳炔基；环烷基；芳基-低碳基，杂环芳基-低碳基或环烷基-低碳基；Q表示低碳亚基或低碳烯亚基；M表示氢；环烷基；芳基；杂环基或杂环芳基：
• TETRAHYDROPYRIDINE DERIVATIVES
  申请人：Actelion Pharmaceuticals Ltd.

  公开号：EP1673341A1

  公开（公告）日：2006-06-28