1,4-Bis[(S)-(3-ethyl-1-azabicyclo[2.2.2]octane-7-yl)(6-methoxy-4-quinolyl)methoxy]anthracene-9,10-dione

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 金鸡纳生物碱
• 英文名称: 1,4-Bis[(S)-(3-ethyl-1-azabicyclo[2.2.2]octane-7-yl)(6-methoxy-4-quinolyl)methoxy]anthracene-9,10-dione
• 英文别名: 1,4-bis[(S)-(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methoxy]anthracene-9,10-dione
• 化学式: C₅₄H₅₆N₄O₆
• 分子量: 857.0
• InChiKey: ARCFYUDCVYJQRN-YNPJMWHASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.9
• 重原子数：
  64
• 可旋转键数：
  12
• 环数：
  13.0
• 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：
  10

文献信息

• PROCESS FOR PREPARING ALPHA-CARBOXAMIDE DERIVATIVES
  申请人：Zajac Matthew Allen

  公开号：US20120226053A1

  公开（公告）日：2012-09-06

  The present application provides a process for the preparation of α-carboxamide pyrrolidine derivatives of formula (I), wherein R 1 and R 2 are independently hydrogen, C 1-6 alkyl or C 3-6 cycloalkylC 1-6 alkyl; or such R 1 and R 2 , together with the nitrogen to which they are attached, may form an unsubstituted 3-, 4-, 5- or 6-membered saturated ring; X is carbon or nitrogen; n is 0, 1 or 2, wherein when present each R 5 is independently selected from the list consisting of C 1-3 alkyl, halogen, cyano, haloC 1-3 alkyl, hydroxy, C 1-3 alkoxy and C 1-3 haloalkoxy; either R 6 or R 7 is —O—R 8 , —OCHR 9 R 8 ,—NCH 2 R 8 or —(CH 2 ) 2 R 8 wherein the other R 6 or R 7 is hydrogen or R 5 ; and wherein R 8 is a phenyl ring or wherein the phenyl ring is optionally substituted by one or more groups independently selected from the list consisting of C 1-3 alkyl, halogen, cyano, haloC 1-3 alkyl, hydroxy, C 1-3 alkoxy and C 1-3 haloalkoxy; and R 9 is hydrogen or C 1-3 alkyl.

  本申请提供了一种制备式(I)的α-羧酰胺吡咯烷衍生物的方法，其中R1和R2分别为氢、C1-6烷基或C3-6环烷基C1-6烷基；或者这样的R1和R2，与它们连接的氮一起，可以形成未取代的3、4、5或6元饱和环；X为碳或氮；n为0、1或2，其中当存在时，每个R5都独立地选自C1-3烷基、卤素、氰基、卤代C1-3烷基、羟基、C1-3烷氧基和C1-3卤代烷氧基的列表；R6或R7为—O—R8、—OCHR9R8、—N R8或—（CH2）2R8，其中另一个R6或R7为氢或R5；R8为苯环或苯环可选择地被一个或多个独立选自C1-3烷基、卤素、氰基、卤代C1-3烷基、羟基、C1-3烷氧基和C1-3卤代烷氧基的基团取代；R9为氢或C1-3烷基。
• US8759542B2
  申请人：——

  公开号：US8759542B2

  公开（公告）日：2014-06-24