5-methyl-6-(4-pyridinyl)-2H-1,4-thiazin-3(4H)-one hydrochloride | 98320-12-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻嗪类
• 英文名称: 5-methyl-6-(4-pyridinyl)-2H-1,4-thiazin-3(4H)-one hydrochloride
• 英文别名: 5-methyl-6-pyridin-4-yl-4H-1,4-thiazin-3-one;hydrochloride
• CAS: 98320-12-8
• 化学式: C₁₀H₁₀N₂OS*ClH
• 分子量: 242.729
• InChiKey: INWCDSFOPZCQIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.05
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  67.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2934999090

反应信息

• 作为产物：
  描述：

  5-methyl-6-[1-(2,2,2-trichloroethoxycarbonyl)-1,4-dihydro-4-pyridinyl]-2H-1,4-thiazin-3(4H)-one 在 盐酸 作用下， 以 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 5.5h， 生成 5-methyl-6-(4-pyridinyl)-2H-1,4-thiazin-3(4H)-one hydrochloride
  参考文献：
  名称：

  Studies on bi-heterocyclic compounds. I. 6-Substituted dihydro-1,4-thiazinones.

  摘要：

  5-甲基-2H-1,4-噻嗪-3(4H)-酮(4)与各种N-酰基吡啶盐(7a-g)反应得到(N-酰基二氢吡啶基)噻嗪酮(5a-g)，将其氧化得到一类新的吡啶基噻嗪酮(6a-g)。这些反应被应用于其他含氮芳基噻嗪酮的合成。其中一些含氮芳基噻嗪酮，特别是6-(4-吡啶基)噻嗪酮(6a, 14a和14b)，显示出了对豚鼠左心房有正性肌力作用和较小的变时效应。

  DOI：

  10.1248/cpb.35.2243

文献信息

• 1,4-Thiazine derivatives
  申请人：Zenyaku Kogyo Kabushiki Kaisha

  公开号：US04565813A1

  公开（公告）日：1986-01-21

  Disclosed is a novel 1,4-thiazine derivatives represented by the following general formula I and a pharmaceutically acceptable acid addition salt thereof: ##STR1## wherein R.sub.1, R.sub.2 and R.sub.3 respectively represent a hydrogen atom or a lower alkyl group. Also disclosed are processes for preparation of a novel thiazine derivative represented by the general formula I, which comprise reacting a compound of the general formula III with a compound of the general formula A-X' in a compound containing a pyridinyl group as a solvent to obtain a compound of the general formula II: ##STR2## wherein R.sub.1, R.sub.2 and R.sub.3 are as defined above, A represents a group ##STR3## in which X represents a halogen atom and n is a number of 1 to 3, and X' represents a halogen atom which may be the same as or different from X, and reacting the compound of the general formula II with sulfur at elevated temperature or stirring the compound of the general formula II in a solution system comprising zinc and a carboxylic acid. Further disclosed is a cardiotonic agent comprising a pharmaceutically acceptable excipient and, as the active component thereof, an effective amount of the novel 1,4-thiazine derivative having the general formula I.

  本发明揭示了一种新的1,4-噻嗪衍生物，其表示为以下通式I及其药学上可接受的酸加成盐：##STR1##其中R.sub.1，R.sub.2和R.sub.3分别表示氢原子或较低的烷基。本发明还揭示了制备通式I所表示的新噻嗪衍生物的方法，包括在含有吡啶基的溶剂中反应通式III的化合物和通式A-X'的化合物，以获得通式II的化合物：##STR2##其中R.sub.1，R.sub.2和R.sub.3如上所定义，A表示一个基团##STR3##其中X表示卤素原子，n为1到3的数字，X'表示可以与X相同或不同的卤素原子，并在高温下与硫反应或在包含锌和羧酸的溶液体系中搅拌通式II的化合物。本发明还揭示了一种心脏强心剂，其包含一种药学上可接受的赋形剂和作为其活性成分的有效量的具有通式I的新1,4-噻嗪衍生物。
• Novel 1,4-thiazine derivative
  申请人：ZENYAKU KOGYO KABUSHIKI KAISHA

  公开号：EP0138058A1

  公开（公告）日：1985-04-24

  Disclosed is a novel 1,4-thiazine derivative represented by the following general formula I and a pharmaceutically acceptable acid addition salt thereof: wherein R1, R2 and R3 respectively represent a hydrogen atom or a lower alkyl group. Also disclosed are processes for preparation of a novel thiazine derivative represented by the general formula I, which comprise reacting a compound of the general formula III with a compound of the general formula A-X' in a compound containing a pyridinyl group as a solvent to obtain a compound of the general formula II: wherein R,, R2 and R3 are as defined above, A represents a group in which X represents a halogen atom and n is a number of 1 to 3, and X' represents a halogen atom which may be the same as or different from X, and reacting the compound of the general formula II with sulfur at elevated temperature or stirring the compound of the general formula II in a solution system comprising zinc and a carboxylic acid. Further disclosed is a cardiotonic agent comprising a pharmaceutically acceptable excipient and, as the active component thereof, an effective amount of the novel 1,4-thiazine derivative having the general formula I.

  本发明公开了由以下通式 I 代表的新型 1,4-噻嗪衍生物及其药学上可接受的酸加成盐： 其中 R1、R2 和 R3 分别代表氢原子或低级烷基。还公开了制备通式 I 所代表的新型噻嗪衍生物的工艺，该工艺包括在含有吡啶基的化合物中作为溶剂使通式 III 的化合物与通式 A-X' 的化合物反应，得到通式 II 的化合物： 其中 R、R2 和 R3 如上定义，A 代表一个基团 其中 X 代表卤原子，n 为 1 至 3 的数字，X'代表卤原子，可以与 X 相同或不同，将通式 II 的化合物与硫在高温下反应，或将通式 II 的化合物在由锌和羧酸组成的溶液体系中搅拌。进一步公开的是一种强心剂，包括一种药学上可接受的赋形剂，以及作为其活性成分的有效量的具有通式 I 的新型 1,4-噻嗪衍生物。
• US4565813A
  申请人：——

  公开号：US4565813A

  公开（公告）日：1986-01-21