2-(2,3-Dimethoxy-6-methyl-7-nitroquinoxalin-5-yl)piperazine-1-carbaldehyde

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2-(2,3-Dimethoxy-6-methyl-7-nitroquinoxalin-5-yl)piperazine-1-carbaldehyde
• 化学式: C16H19N5O5
• 分子量: 361.35
• InChiKey: SQSAIOAVMAQQPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  122
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• Conformationally semi-constrained quinoxaline 2,3-diones as neuroprotective agents
  申请人：——

  公开号：US20020065415A1

  公开（公告）日：2002-05-30

  Described are neuroprotective agents of Formula I 1 wherein R is an amino acid, a derivative thereof, or nitrogen heterocyclic ring which is saturated or unsaturated of from 5 to 8 members which may have additional oxygen or sulfur atoms therein and which may be substituted by one or more substituents selected from: alkyl of from 1 to 4 carbon atoms, hydroxyl, alkoxy of from 1 to 4 carbon atoms, —CF 3 , —CN, -amino, —C(O)R 11 ,or —(CH 2 ) n -aryl of from 6 to 12 carbon atoms; R must be attached through a carbon to the quinoxalinyl ring; R 1 is H, alkyl of from 1 to 4 carbon atoms, phosphonoalkyl of from 1 to 4 carbon atoms, phosphoroalkyl of from 1 to 4 carbon atoms, carboxyalkyl of from 1 to 4 carbon atoms, —(CH 2 ) m C(O)R 11 , or hydroxy; R 2 is hydrogen, hydroxy, or amine; R 3 and R 4 are each independently H, alkyl of from 1 to 4 carbon atoms, cycloalkyl of from 5 to 7 carbon atoms, alkenyl of from 2 to 6 carbon atoms, halogen, haloalkyl of from 1 to 6 carbon atoms, nitro, cyano, SO 2 CF 3 , CH 2 SO 2 R 7 , (CH 2 ) m CO 2 R 7 , (CH 2 ) m CONR 7 R 8 , (CH 2 ) m SO 2 NR 8 R 9 , or NHCOR 7 ; R 5 is H, alkyl of from 1 to 4 carbon atoms, alkenyl of from 2 to 6 carbon atoms, cycloalkyl of from 5 to 7 carbon atoms, halogen, haloalkyl of from 1 to 4 carbon atoms, —(CH 2 ) m aryl of from 6 to 10 carbon atoms, nitro, cyano, SO 2 CF 3 , (CH 2 ) m CO 2 R 9 , (CH 2 ) m CONR 9 R 10 , SO 2 NR 9 R 10 , SO 2 R 7 , (CH 2 ) m SO 2 R 7 , NHCOR 9 , —(CH 2 ) m heterocyclic of from 6 to 10 atoms which may contain nitrogen, oxygen, sulfur, and/or —(CH 2 ) n R; R 5 may be joined at R 4 to form a cyclic aromatic or a heterocyclic ring of from 5 to 7 members which may contain nitrogen, oxygen, or sulfur; R 7 , R 8 , R 9 , and R 10 are each independently selected from hydrogen, alkyl of from 1 to 4 carbon atoms, cycloalkyl of from 5 to 7 carbon atoms, haloalkyl of from 1 to 4 carbon atoms, or —(CH 2 ) m R 11 ; R 11 is alkyl or alkoxy of from 1 to 4 carbon atoms, hydroxy, or amino; m is an integer of from 0 to 4; n is an integer of from 0 to 4; (m may or may not be equal to n); or a pharmaceutically acceptable salt thereof.

  本文描述了公式I1的神经保护剂，其中R是氨基酸、其衍生物或氮杂环环，其饱和或不饱和，由5到8个成员组成，其中可能有额外的氧或硫原子，并且可能被一个或多个取代基所取代，所选的取代基包括：碳链为1到4个碳原子的烷基，羟基，碳链为1到4个碳原子的烷氧基，-CF3，-CN，-氨基，-C（O）R11或-（CH2）n-芳基，其由6到12个碳原子组成；R必须通过一个碳原子连接到喹啉基环上；R1是氢，碳链为1到4个碳原子的烷基，碳链为1到4个碳原子的膦酸烷基，碳链为1到4个碳原子的膦酰烷基，碳链为1到4个碳原子的羧基烷基，-（ ）mC（O）R11或羟基；R2是氢，羟基或胺基；R3和R4各自独立地是氢，碳链为1到4个碳原子的烷基，环烷基为5到7个碳原子，碳链为2到6个碳原子的烯基，卤素，碳链为1到6个碳原子的卤代烷基，硝基，氰基，SO2 ， SO2R7，（ ）mCO2R7，（ ）mCONR7R8，（ ）mSO2NR8R9或NHCOR7；R5是氢，碳链为1到4个碳原子的烷基，碳链为2到6个碳原子的烯基，环烷基为5到7个碳原子，卤素，碳链为1到4个碳原子的卤代烷基，-（ ）maryl，其由6到10个碳原子组成，硝基，氰基，SO2 ，（ ）mCO2R9，（ ）mCONR9R10，SO2NR9R10，SO2R7，（ ）mSO2R7，NHCOR9，-（ ）mheterocyclic，其由6到10个原子组成，其中可能含有氮、氧、硫和/或-（ ）nR；R5可以在R4处连接，形成由5到7个成员组成的环芳香族或杂环环，其中可能含有氮、氧或硫；R7、R8、R9和R10各自独立地选择自氢，碳链为1到4个碳原子的烷基，环烷基为5到7个碳原子，碳链为1到4个碳原子的卤代烷基或-（ ）mR11；R11是碳链为1到4个碳原子的烷基或烷氧基，羟基或氨基；m是0到4的整数；n是0到4的整数；（m可能等于或不等于n）；或其药学上可接受的盐。
• US6340758B1
  申请人：——

  公开号：US6340758B1

  公开（公告）日：2002-01-22
• US6455698B1
  申请人：——

  公开号：US6455698B1

  公开（公告）日：2002-09-24