2-Amino-2-methylethanthiol-hydrochlorid | 4145-98-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醇
• 英文名称: 2-Amino-2-methylethanthiol-hydrochlorid
• 英文别名: DL-α-Methylcysteamin-hydrochlorid; dl-2-Amino-1-propanthiol-hydrochlorid；2-mercapto-1-methylethylamine hydrochloride；1-(mercaptomethyl)-ethylammonium chloride；2-aminopropanethiol hydrochloride；2-Amino-propan-1-thiol; Hydrochlorid；2-aminopropane-1-thiol hydrochloride；1-Sulfanylpropan-2-ylazanium;chloride；1-sulfanylpropan-2-ylazanium;chloride
• CAS: 4145-98-6
• 化学式: C₃H₉NS*ClH
• mdl: MFCD01697647
• 分子量: 127.638
• InChiKey: LGDQCFHYSGLOKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.01
• 重原子数：
  6
• 可旋转键数：
  1
• 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-Amino-2-methylethanthiol-hydrochlorid 在 ammonium hydroxide 、 双氧水 作用下， 生成 Bis-(2-amino-propyl)-disulfid
  参考文献：
  名称：

  Nucleophilic Displacement of Bromide by Thiosulfate Ion from 1,2-Aminobromopropanes

  摘要：

  DOI：

  10.1021/jo01018a038
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 盐酸 作用下， 生成 2-Amino-2-methylethanthiol-hydrochlorid
  参考文献：
  名称：

  Boese, Chemische Berichte, 1920, vol. 53, p. 1995

  摘要：

  DOI：

文献信息

• Investigations on Pantothenic Acid and Its Related Compounds. XIII. Chemical Studies. (6). Syntheses of Homopantethine and Some Other Pantethine Analogs
  作者：OSAMU NAGASE、HIROAKI TAGAWA、MASAO SHIMIZU

  DOI：10.1248/cpb.16.977

  日期：——

  Four pantethine analogs (homopantethine (VII), α-methyl-(XIIIb) and β-methyl-pantethine (XIIIc), and oxypantetheine (XVI)) were prepared. Synthesis of VII from D-pantothenonitrile (I) and homocysteamine by using the thiazine derivative (III) as an intermediate was established. XIIIb and XIIIc were synthesized by the thiazoline method described previously, and XVI by the general method.

  制备了四种泛硫乙胺类似物（高泛硫乙胺（VII），α-甲基泛硫乙胺（XIIIb）和β-甲基泛硫乙胺（XIIIc），以及氧化泛硫乙胺（XVI））。通过使用噻嗪衍生物（III）作为中间体，从D-泛硫腈（I）和高胱胺合成VII。使用先前描述的噻唑啉方法合成XIIIb和XIIIc，通过常规方法合成XVI。
• Synthese und absolute Konfiguration kettenverzweigter, Cimetidin-analoger Thioether / Synthesis and Absolute Configuration of Chain Branched Cimetidine Analogous Thioethers
  作者：Sigurd Elza、Martin Dräger、Walter Schunack

  DOI：10.1515/znb-1987-0317

  日期：1987.3.1

  Chain branched Cimetidine analogous thioethers, promising building blocks for the preparation of H₂-histaminergic compounds, were synthetized from chiral aminoalkanethiols. Enantiomerically pure amino acids or aminoalcohols were used as starting materials. In one case, a resolution via neutral and acid di-O-(4-toluoyl)tartrates was achieved in good yields and satisfying enantiomeric excess. The absolute configuration of an ethyl branched compound was determined using X-ray diffraction and anomalous dispersion

  链支化的西米替丁类硫醚，是制备H₂-组胺化合物的有前途的构建模块，从手性氨基烷硫醇合成而来。对映体纯氨基酸或氨基醇作为起始原料。在一个案例中，通过中性和酸性二-O-(4-对甲苯基)酒石酸盐的分离，获得了良好的产率和令人满意的对映体过量。通过X射线衍射和异常色散确定了乙基支化化合物的绝对构型。
• Nitrogen-containing heterocyclic ring derivatives and analgesic and
  申请人：Yamanouchi Pharmaceutical Co., Ltd.

  公开号：US04288438A1

  公开（公告）日：1981-09-08

  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.

  根据下面的公式所示的新型含氮杂环化合物，其中R.sub.1和R.sub.2中的一个代表低烷基基团、苯基、卤苯基或低烷氧基苯基，另一个代表氢原子、低烷基基团或苯低烷基基团；所述的R.sub.1和R.sub.2可以结合在一起形成三亚甲基基团或四亚甲基基团；R.sub.3代表氢原子、低烷基基团、苯基或苯低烷基基团；X代表氧原子、硫原子、亚胺基团或由##STR2##所示的基团（其中m代表1或2，R.sub.4代表低烷基基团、羟基低烷基基团、环烷基团或苯基低烷基基团）；Y代表乙烯基，可以被低烷基基团、三亚甲基基团、四亚甲基基团、乙烯基取代，或者##STR3##（其中R.sub.5代表氢原子、低烷基基团、三氟甲基基团或苯基）；当R.sub.1和R.sub.2中的一个是低烷基基团，另一个是氢原子时，X是由##STR4##所示的基团，Y是乙烯基，以及其药理学上可接受的无毒盐。上述描述的化合物是强效的镇痛抗炎药物。
• 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.

  根据以下公式所示的新颖含氮杂环化合物：其中R.sub.1和R.sub.2中的一个代表较低的烷基基团、苯基、卤苯基团或较低的烷氧基苯基团，另一个代表氢原子、较低的烷基基团或苯较低的烷基基团；所述的R.sub.1和R.sub.2可以结合在一起形成三亚甲基基团或四亚甲基基团；R.sub.3代表氢原子、较低的烷基基团、苯基或苯较低的烷基基团；X代表氧原子、硫原子、亚胺基团或由##STR2##所示的基团，其中m代表1或2，R.sub.4代表较低的烷基基团、羟基较低的烷基基团、环烷基基团或苯较低的烷基基团；Y代表一个乙烯基，可以被较低的烷基基团取代，一个三亚甲基基团，一个四亚甲基基团，一个乙烯基可以被较低的烷基基团取代，或者##STR3##其中R.sub.5代表氢原子、较低的烷基基团、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基团，另一个是氢原子时，X是由##STR4##所示的基团，Y是一个乙烯基，以及其药理学上可接受的无毒盐。上述化合物是强镇痛抗炎剂。
• 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。

表征谱图