ethyl 3-[N-(2-(3,4-dimethoxyphenyl)ethyl)-N-methylaminomethyl]-6-methyl-4-(3-nitrophenyl)-4,7-dihydroisothiazolo[5,4-b]pyridine-5-carboxylate | 118603-25-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: ethyl 3-[N-(2-(3,4-dimethoxyphenyl)ethyl)-N-methylaminomethyl]-6-methyl-4-(3-nitrophenyl)-4,7-dihydroisothiazolo[5,4-b]pyridine-5-carboxylate
• 英文别名: Ethyl 3-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]-6-methyl-4-(3-nitrophenyl)-4,7-dihydro-[1,2]thiazolo[5,4-b]pyridine-5-carboxylate
• CAS: 118603-25-1
• 化学式: C₂₈H₃₂N₄O₆S
• 分子量: 552.651
• InChiKey: BHRMVKINESSPIE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  39
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  147
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  Ethyl 3-methanesulfonyloxymethyl-6-methyl-4-(3-nitrophenyl)-4,7-dihydroisothiazolo[5,4-b]pyridine-5-carboxylate 、 N-甲基-2-(3,4-二甲氧基苯基)乙胺 生成 ethyl 3-[N-(2-(3,4-dimethoxyphenyl)ethyl)-N-methylaminomethyl]-6-methyl-4-(3-nitrophenyl)-4,7-dihydroisothiazolo[5,4-b]pyridine-5-carboxylate
  参考文献：
  名称：

  YAMADA, SHIN-ICHI;GOTO, TAKAO;MASHIKO, TOSHIHISA;KOGI, KENTARO;OGUCHI, YU+

  摘要：

  DOI：

文献信息

• 4,7-dihydroisothiazolo(5,4-b)pyridine derivatives and cardiovascular
  申请人：Toa Eiyo, Ltd.

  公开号：US04874760A1

  公开（公告）日：1989-10-17

  A 4,7-dihydroisothiazole[5,4-b]pyridine derivative represented by the general formula ##STR1## wherein R.sup.1 represents an alkyl group which may be substituted, R.sup.2 represents a hydrogen atom, a hydroxyl group, a benzyloxy group, a lower alkoxy group, a group of the formula ##STR2## in which R.sup.3 and R.sup.4 are identical or different and each represents a hydrogen atom, a lower alkyl group, an aralkyl group, an aralkynyl group, an aryloxyalkyl group, an arylaminoalkyl group, a pyridylalkyl group or a benzazolylalkyl group, or R.sup.3 and R.sup.4 form a ring and represent a group of the formula ##STR3## where X represents a methine group, a nitrogen atom or an oxygen atom, n is an integer of 1 or 2, and when X is a methine group or a nitrogen atom, R.sup.5 represents a hydrogen atom, a lower alkyl group, a lower hydroxyalkyl group, an aryl group, an aryloxy group, an aralkyl group, a furoyl group, a pyridyl group or a diphenylmethane group each of which group may be substituted, and m is an integer of 1 to 3, or an acid addition salt thereof. Processes for producing said derivative and a cardiovascular treating agent comprising said derivative as an active ingredient are also provided.

  一种由通式##STR1##所代表的4,7-二氢异噻唑[5,4-b]吡啶衍生物，其中R.sup.1代表可以被取代的烷基基团，R.sup.2代表氢原子、羟基、苄氧基、较低的烷氧基、通式##STR2##中R.sup.3和R.sup.4相同或不同，每个代表氢原子、较低的烷基基团、芳基基团、芳基炔基团、芳基氧基烷基团、芳基氨基烷基团、吡啶基烷基团或苯并噻唑基烷基团，或R.sup.3和R.sup.4形成一个环，并代表通式##STR3##中的一个基团，其中X代表亚甲基基团、氮原子或氧原子，n是1或2的整数，当X是亚甲基基团或氮原子时，R.sup.5代表氢原子、较低的烷基基团、较低的羟基烷基基团、芳基、芳基氧基、芳基烷基、呋喃基、吡啶基或二苯甲烷基团，每个基团均可被取代，m是1到3的整数，或其酸盐。还提供了生产该衍生物的方法以及包含该衍生物作为活性成分的心血管治疗剂。
• Thiazolopyridine derivative, their production and cardiovascular treating agents containing them
  申请人：TOA EIYO LTD.

  公开号：EP0277701A1

  公开（公告）日：1988-08-10

  A 4,7-dihydroisothiazolo[5,4-b]pyridine derivative represented by the general formula wherein R1 represents an alkyl group which may be substituted, R2 represents a hydrogen atom, a hydroxyl group, a benzyloxy group, a lower alkoxy group, a group of the formula in which R3 and R4 are identical or different and each represents a hydrogen atom, a lower alkyl group, an aralkyl group, an aralkynyl group, an aryloxyalkyl group, an arylaminoalkyl group, a pyridylalkyl group or a benzazolylalkyl group, or R3 and R4 form a ring and represent a group of the formula where X represents a methine group, a nitrogen atom or an oxygen atom, n is an integer of 1 or 2, and when X is a methine group or a nitrogen atom, R5 represents a hydrogen atom, a lower alkyl group, a lower hydroxyalkyl group, an aryl group, an aryloxy group, an aralkyl group, a furoyl group, a pyridyl group or a diphenylmethane group each of which group may be substituted, and m is an integer of 1 to 3, or an acid addition salt thereof. Processes for producing said derivative and a cardiovascular treating agent comprising said derivative as an active ingredient are also provided.

  由通式表示的 4，7-二氢异噻唑并[5，4-b]吡啶衍生物 其中 R1 代表一个可被取代的烷基、 R2 代表氢原子、羟基、苄氧基、低级烷氧基、通式如下的基团 其中 R3 和 R4 相同或不同，各自代表一个氢原子、一个低级烷基、一个芳烷基、一个芳炔基、一个芳氧基烷基、一个芳酰胺基烷基、一个吡啶基烷基或一个苯唑基烷基，或 R3 和 R4 组成一个环并代表一个式中的基团。 其中 X 代表甲基、氮原子或氧原子，n 为 1 或 2 的整数，当 X 为甲基或氮原子时，R5 代表氢原子、低级烷基、低级羟烷基、芳基、芳氧基、芳烷基、呋喃基、吡啶基或二苯基甲烷基，其中每个基团均可被取代，以及 m为1至3的整数，或其酸加成盐。此外，还提供了生产上述衍生物和包含上述衍生物作为活性成分的心血管治疗剂的工艺。
• US4874760A
  申请人：——

  公开号：US4874760A

  公开（公告）日：1989-10-17