3-amino-propanethiol; hydrobromide | 67755-57-1

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醇
• 英文名称: 3-amino-propanethiol; hydrobromide
• 英文别名: 3-Aminopropanethiol hydrobromide；3-aminopropane-1-thiol;hydrobromide
• CAS: 67755-57-1
• 化学式: BrH*C₃H₉NS
• 分子量: 172.089
• InChiKey: MESUOBUHLWHCBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.84
• 重原子数：
  6
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  27
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(羧甲基)-4-甲氧基苯甲酸 、 3-amino-propanethiol; hydrobromide 生成 9-methoxy-3,4-dihydro-2H-[1,3]thiazino[3,2-b]isoquinolin-6-one
  参考文献：
  名称：

  Studies on the synthesis of condensed heterocyclic isoquinolone derivatives. I. Studies on the synthesis and pharmacology of thiazino, oxazino and pyrimido isoquinolones.

  摘要：

  5-氧代-1，2，3，5-四氢-5H-咪唑并[1，2-b]异喹啉（IIa）及相关化合物由均苯二甲酸和脂肪族 1，2-或 1，3-二胺合成。此外，均苯二甲酸或邻羧基苯丙二酸二酯与脂肪族 1、2- 或 1、3-氨基醇或氨基硫醇在对甲苯磺酸存在下加热反应，可生成一系列噁唑或噁唑-异喹啉酮（VI）或噻唑或噻嗪-异喹啉酮（IV）。IV 氧化后得到相应的硫醚（VII）和砜（VIII）。用 N-烷基 1，2-或 1，3-二胺处理邻氰甲基苯磺酰氯，可得到 N-烷基咪唑或嘧啶基苯并噻嗪-5，5-二氧化物（XI）。采用角叉菜胶爪水肿法对由此制备的化合物进行了大鼠抗炎效果评估，发现其中一些缩合杂环异喹啉酮衍生物具有很强的抗炎活性。这些化合物还通过抑制醋酸引起的蠕动来检测其镇痛活性。化合物 VIIIk 显示出比苯基丁氮酮更强的抗炎活性，以及与氨基比林相当的镇痛活性，而且毒性很低。

  DOI：

  10.1248/cpb.27.2372

文献信息

• Nitrogen-containing heterocyclic compounds
  申请人：Yamanouchi Pharmaceutical Co., Ltd.

  公开号：US04163844A1

  公开（公告）日：1979-08-07

  Novel nitrogen-containing heterocyclic compounds shown by the formula ##STR1## wherein Y represents an oxygen atom, a sulfur atom, or a group shown by ##STR2## (wherein m is 1 or 2); n represents 0 or 1; R.sub.1 and R.sub.4, which may be the same or different, each represents a hydrogen atom, a lower alkyl group, or a lower alkenyl group; R.sub.2 and R.sub.3, which may be the same or different, each represents a hydrogen atom, a hydroxyl group, a lower alkanoyloxy group, a lower alkyl group or a lower alkenyl group; said R.sub.2 and R.sub.3 may further form together a double bond; R.sub.5 and R.sub.6, which may be the same or different, each represents a hydrogen atom, a halogen atom, a hydroxyl group, a nitro group, an amino group, a lower alkoxy group, a mono or di lower alkylamino group, or a lower alkyl group; said R.sub.5 and R.sub.6 may further form together a lower alkylenedioxy group; and R.sub.7 represents a hydrogen atom, a halogen atom, a lower alkanoyl group, a phenyl group, a phenyl lower alkyl group, a lower alkyl group, a hydroxy lower alkyl group, a di lower alkylamino lower alkyl group, a pyrrolidino lower alkyl group, a piperidino lower alkyl group, a morpholino lower alkyl group, or a 4-lower alkylpiperazino lower alkyl group; (1) when said R.sub.1, R.sub.2, R.sub.3, R.sub.4, R.sub.5, R.sub.6 and R.sub.7 are hydrogen atom and n is 0, said Y is a group shown by ##STR3## and (2) when said R.sub.1, R.sub.2, R.sub.3, R.sub.4 and R.sub.7 are hydrogen atom, at least one of said R.sub.5 and R.sub.6 is the aforesaid group other than hydrogen atom, and n is 0, said Y is oxygen atom or a group shown by ##STR4## and the pharmacologically acceptable non-toxic salts thereof. The compounds are strong analgesic anti-inflammatory agents.

  根据以下公式显示的新型含氮杂环化合物：其中Y代表氧原子、硫原子或由##STR2##所示的基团（其中m为1或2）；n代表0或1；R.sub.1和R.sub.4，可以相同也可以不同，分别代表氢原子、低烷基基团或低烯基基团；R.sub.2和R.sub.3，可以相同也可以不同，分别代表氢原子、羟基基团、低烷酰氧基团、低烷基基团或低烯基基团；所述的R.sub.2和R.sub.3还可以一起形成双键；R.sub.5和R.sub.6，可以相同也可以不同，分别代表氢原子、卤素原子、羟基基团、硝基基团、氨基基团、低烷氧基团、单或双低烷基氨基基团或低烷基基团；所述的R.sub.5和R.sub.6还可以一起形成低烷基二氧基基团；R.sub.7代表氢原子、卤素原子、低烷酰基团、苯基团、苯基低烷基基团、低烷基基团、羟基低烷基基团、双低烷基氨基低烷基基团、吡咯啉基低烷基基团、哌啶基低烷基基团、吗啉基低烷基基团或4-低烷基哌嗪基低烷基基团；（1）当所述的R.sub.1、R.sub.2、R.sub.3、R.sub.4、R.sub.5、R.sub.6和R.sub.7为氢原子且n为0时，所述的Y是由##STR3##所示的基团；（2）当所述的R.sub.1、R.sub.2、R.sub.3、R.sub.4和R.sub.7为氢原子，至少其中一个所述的R.sub.5和R.sub.6是上述的非氢原子基团，且n为0时，所述的Y是氧原子或由##STR4##所示的基团，以及其药理学上可接受的无毒盐。这些化合物是强效止痛抗炎剂。
• Novel fused derivatives of 2-pyridones
  申请人：Yamanouchi Pharmaceutical Co., Ltd.

  公开号：US04186200A1

  公开（公告）日：1980-01-29

  Novel nitrogen-containing heterocyclic compounds shown by the formula ##STR1## wherein one of R.sub.1 and R.sub.2 represents a lower alkyl group, a phenyl group, a halophenyl group, or a lower alkoxyphenyl group and the other of them represents a hydrogen atom, a lower alkyl group, or a phenyl lower alkyl group; said R.sub.1 and R.sub.2 may combine with each other to form a trimethylene group or a tetramethylene group; R.sub.3 represents a hydrogen atom, a lower alkyl group, a phenyl group, or a phenyl lower alkyl group; X represents an oxygen atom, a sulfur atom, an imino group, or a group shown by ##STR2## wherein m represents 1 or 2 and R.sub.4 represents a lower alkyl group, a hydroxy lower alkyl group, a cycloalkyl group or a phenyl lower alkyl group; and Y represents an ethylene group which may be substituted by lower alkyl group, a trimethylene group, a tetramethylene group, a vinylene group which may be substituted by a lower alkyl group, or ##STR3## wherein R.sub.5 represents a hydrogen atom, a lower alkyl group, a trifluoromethyl group, or a phenyl group; said X is the group shown by ##STR4## when one of said R.sub.1 and R.sub.2 is a lower alkyl group and the other is a hydrogen atom, and said Y is an ethylene group, and the pharmacologically acceptable non-toxic salts thereof. The compounds described above are strong analgesic anti-inflammatory agents.

  该文描述了一种新型含氮杂环化合物，其化学式为 ##STR1## 其中R.sub.1和R.sub.2中的一个代表低碳基，苯基，卤代苯基或低碳基苯基，另一个代表氢原子，低碳基或苯基低碳基；R.sub.1和R.sub.2可以结合形成三亚甲基基团或四亚甲基基团；R.sub.3代表氢原子，低碳基，苯基或苯基低碳基；X代表氧原子，硫原子，亚胺基或由##STR2## 所示的基团，其中m代表1或2，R.sub.4代表低碳基，羟基低碳基，环烷基或苯基低碳基；Y代表乙烯基，可以被低碳基取代，三亚甲基基团，四亚甲基基团，可以被低碳基取代的乙烯基，或者##STR3## 其中R.sub.5代表氢原子，低碳基，三氟甲基基团或苯基；当R.sub.1和R.sub.2中的一个是低碳基，另一个是氢原子时，X是##STR4## ，Y是乙烯基，并且其药学上可接受的无毒盐。上述化合物是强烈的镇痛抗炎药物。
• Nitrogen-containing heterocyclic ring derivatives
  申请人：Yamanouchi Pharmaceutical Co., Ltd.

  公开号：US04284778A1

  公开（公告）日：1981-08-18

  Novel nitrogen-containing heterocyclic compounds shown by the formula ##STR1## wherein one of R.sub.1 and R.sub.2 represents a lower alkyl group, a phenyl group, a halophenyl group, or a lower alkoxyphenyl group and the other of them represents a hydrogen atom, a lower alkyl group, or a phenyl lower alkyl group; said R.sub.1 and R.sub.2 may combine with each other to form a trimethylene group or a tetramethylene group; R.sub.3 represents a hydrogen atom, a lower alkyl group, a phenyl group, or a phenyl lower alkyl group; X represents an oxygen atom, a sulfur atom, an imino group, or a group shown by ##STR2## wherein m represents 1 or 2 and R.sub.4 represents a lower alkyl group, a hydroxy lower alkyl group, a cycloalkyl group or a phenyl lower alkyl group; and Y represents an ethylene group which may be substituted by a lower alkyl group, a trimethylene group, a tetramethylene group, a vinylene group which may be substituted by lower alkyl group, or ##STR3## wherein R.sub.5 represents a hydrogen atom, a lower alkyl group, a trifluoromethyl group, or a phenyl group; said X is the group shown by ##STR4## when one of said R.sub.1 and R.sub.2 is a lower alkyl group and the other is a hydrogen atom, and said Y is an ethylene group, and the pharmacologically acceptable non-toxic salts thereof. The compound described above are strong analgesic anti-inflammatory agents.

  这是一种新型含氮杂环化合物，其化学式为##STR1##其中R.sub.1和R.sub.2中的一个代表较低的烷基、苯基、卤代苯基或较低的烷氧基苯基，另一个代表氢原子、较低的烷基或苯基较低烷基；R.sub.1和R.sub.2可以结合形成三亚甲基基团或四亚甲基基团；R.sub.3代表氢原子、较低的烷基、苯基或苯基较低烷基；X代表氧原子、硫原子、亚胺基或由##STR2##所示的基团，其中m代表1或2，R.sub.4代表较低的烷基、羟基较低烷基、环烷基或苯基较低烷基；Y代表乙烯基，可以被较低的烷基、三亚甲基基团、四亚甲基基团、可以被较低烷基取代的乙烯基或由##STR3##所示的基团取代；R.sub.5代表氢原子、较低的烷基、三氟甲基基团或苯基；当R.sub.1和R.sub.2中的一个是较低的烷基，另一个是氢原子时，X是由##STR4##所示的基团，Y是乙烯基，且其药理学上可接受的无毒盐。上述化合物是强的镇痛和抗炎药物。
• 1,3-Oxazino(3,2-b)isoquinoline-6-ones
  申请人：Yamanouchi Pharmaceutical Co., Ltd.

  公开号：US04329455A1

  公开（公告）日：1982-05-11

  Novel nitrogen-containing heterocyclic compounds shown by the formula ##STR1## wherein Y represents an oxygen atom, a sulfur atom, or a group shown by ##STR2## (wherein m is 1 or 2); n represents 0 or 1; R.sub.1 and R.sub.4, which may be the same or different, each represents a hydrogen atom, a lower alkyl group, or a lower alkenyl group; R.sub.2 and R.sub.3, which may be the same or different, each represents a hydrogen atom, a hydroxyl group, a lower alkanoyloxy group, a lower alkyl group or a lower alkenyl group; said R.sub.2 and R.sub.3 may further form together a double bond; R.sub.5 and R.sub.6, which may be the same or different, each represents a hydrogen atom, a halogen atom, a hydroxyl group, a nitro group, an amino group, a lower alkoxy group, a mono or di lower alkylamino group, or a lower alkyl group; said R.sub.5 and R.sub.6 may further form together a lower alkylenedioxy group; and R.sub.7 represents a hydrogen atom, a halogen atom, a lower alkanoyl group, a phenyl group, a phenyl lower alkyl group, a lower alkyl group, a hydroxy lower alkyl group, a di lower alkylamino lower alkyl group, a pyrrolidino lower alkyl group, a piperidino lower alkyl group, a morpholino lower alkyl group, or a 4-lower alkylpiperazino lower alkyl group; (1) when said R.sub.1, R.sub.2, R.sub.3, R.sub.4, R.sub.5, R.sub.6 and R.sub.7 are hydrogen atom and n is 0, said Y is a group shown by ##STR3## and (2) when said R.sub.1, R.sub.2, R.sub.3, R.sub.4 and R.sub.7 are hydrogen atom, at least one of said R.sub.5 and R.sub.6 is the aforesaid group other than hydrogen atom, and n is 0, said Y is oxygen atom or a group shown by ##STR4## and the pharmacologically acceptable non-toxic salts thereof. The compounds are strong analgesic anti-inflammatory agents.

  该专利涉及一类新型含氮杂环化合物，其化学式为：##STR1## 其中，Y代表一个氧原子，硫原子或者一个表示为##STR2##（其中m为1或2）的基团；n代表0或1；R1和R4，可以相同也可以不同，分别代表氢原子、低碳基或低烯基；R2和R3，可以相同也可以不同，分别代表氢原子、羟基、低烷酰氧基、低碳基或低烯基；R2和R3还可以形成一个双键；R5和R6，可以相同也可以不同，分别代表氢原子、卤素原子、羟基、硝基、氨基、低烷氧基、一或二个低碳基氨基、或低碳基；R5和R6还可以形成一个低碳基亚乙二氧基基团；R7代表一个氢原子、卤素原子、低烷酰基、苯基、苯基低碳基、低碳基、羟基低碳基、二个低碳基氨基低碳基、吡咯烷基低碳基、哌啶基低碳基、吗啉基低碳基、或4-低碳基哌嗪基低碳基；（1）当R1、R2、R3、R4、R5、R6和R7均为氢原子且n为0时，Y为一个表示为##STR3##的基团；（2）当R1、R2、R3、R4和R7均为氢原子，至少其中的R5和R6是上述除氢原子外的基团之一，且n为0时，Y为一个氧原子或一个表示为##STR4##的基团；以及其药学上可接受的无毒盐。这些化合物是强烈的镇痛和抗炎药物。
• Thiazolo[3,2-6]isoquinolines, compositions and use thereof
  申请人：Yamanouchi Pharmaceutical Co. Ltd.

  公开号：US04335129A1

  公开（公告）日：1982-06-15

  Nitrogen containing heterocyclic compounds shown by the formula ##STR1## wherein Y represents an oxygen atom, a sulfur atom, or a group shown by ##STR2## (wherein m is 1 or 2); n represents 0 or 1; R.sub.1 and R.sub.4, which may be the same or different, each represents a hydrogen atom, a lower alkyl group, or a lower alkenyl group; R.sub.2 and R.sub.3, which may be the same or different, each represents a hydrogen atom, a hydroxyl groups, a lower alkanoyloxy group, a lower alkyl group or a lower alkenyl group; said R.sub.2 and R.sub.3 may further form together a double bond; R.sub.5 and R.sub.6, which may be the same or different, each represents by hydrogen atom, a halogen atom, a hydroxyl group, a nitro group, an amino group, a lower alkoxy group, a mono or di lower alkylamino group, or a lower alkyl group; said R.sub.5 and R.sub.6 may further form together a lower alkylenedioxy group; and R.sub.7 represents a hydrogen atom, a halogen atom, a lower alkanoyl group, a phenyl group, a phenyl lower alkyl group, a lower alkyl group, a hydroxy lower alkyl group, a di lower alkylamino lower alkyl group, a pyrrolidino lower alkyl group, a piperidino lower alkyl group, a morpholino lower alkyl group, or a 4-lower alkylpiperazino lower alkyl group; (1) when said R.sub.1, R.sub.2, R.sub.3, R.sub.4, R.sub.5, R.sub.6 and R.sub.7 are hydrogen atom and n is O, said Y is a group shown by ##STR3## and (2) when said R.sub.1, R.sub.2, R.sub.3, R.sub.4 and R.sub.7 are hydrogen atom, at least one of said R.sub.5 and R.sub.6 is the aforesaid group other than hydrogen atom, and n is O, said Y is oxygen atom or a group shown by ##STR4## and the pharmacologically acceptable non-toxic salts thereof.

  公式为 ##STR1## 的含氮杂环化合物，其中Y代表氧原子、硫原子或由 ##STR2## 表示的基团（其中m为1或2）；n代表0或1；R.sub.1和R.sub.4，可以相同也可以不同，分别代表氢原子、低碳基或低烯基基团；R.sub.2和R.sub.3，可以相同也可以不同，分别代表氢原子、羟基、低烷酰氧基、低碳基或低烯基基团；R.sub.2和R.sub.3还可以形成双键；R.sub.5和R.sub.6，可以相同也可以不同，分别代表氢原子、卤素原子、羟基、硝基、氨基、低烷氧基、一或二个低碳基氨基基团或低碳基基团；R.sub.5和R.sub.6还可以形成低碳基亚乙氧基基团；R.sub.7代表氢原子、卤素原子、低烷酰基、苯基、苯基低碳基、低碳基、羟基低碳基、二个低碳基氨基低碳基、吡咯烷基低碳基、哌啶烷基低碳基、吗啉烷基低碳基或4-低碳基哌嗪基低碳基；（1）当R.sub.1、R.sub.2、R.sub.3、R.sub.4、R.sub.5、R.sub.6和R.sub.7均为氢原子且n为O时，Y为由 ##STR3## 表示的基团；（2）当R.sub.1、R.sub.2、R.sub.3、R.sub.4和R.sub.7均为氢原子，至少有一个R.sub.5和R.sub.6为上述氢原子以外的基团，且n为O时，Y为氧原子或由 ##STR4## 表示的基团；以及其药理学上可接受的非毒性盐。