3-amino-2-phenyl-1-O-((N-methyl)thiocarbamoyl)propanol hydrochloride

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-amino-2-phenyl-1-O-((N-methyl)thiocarbamoyl)propanol hydrochloride
• 英文别名: O-(3-amino-2-phenylpropyl) N-methylcarbamothioate;hydrochloride
• 化学式: C₁₁H₁₆N₂OS*ClH
• 分子量: 260.788
• InChiKey: XPJOHQNJMAVFOC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.67
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  79.4
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-N-(t-butyloxycarbonyl)amino-2-phenyl-1-O-((N-methyl)thiocarbamoyl)propanol 生成 3-amino-2-phenyl-1-O-((N-methyl)thiocarbamoyl)propanol hydrochloride
  参考文献：
  名称：

  O-thiocarbamoyl-aminoalkanol compounds, their pharmaceutically useful

  摘要：

  本发明涉及以下结构式（VI）、（VIII）和（IX）所代表的O-硫代氨基醇化合物，其为一个外消旋或旋光异构体富集的药用盐，用于治疗中枢神经系统疾病：其中Ar是如下所述的苯基：其中R是从氢、1至8个碳原子的低碳烷基、从F、Cl、Br和I中选择的卤素、含有1至3个碳原子的烷氧基、含有1至3个碳原子的硫代烷氧基、硝基、羟基或氟氯烷基中选择的一种成员，x是1至3的整数，但R在x为2或3时相同时或不同。R.sub.1和R.sub.2可以相同也可以不同，独立地选择自氢、1至8个碳原子的低碳烷基、芳基、3至7个成员的脂肪环化合物和R.sub.1和R.sub.2，连同相邻的N原子，形成一个含有0至1个额外氮原子的5至7个成员的环化合物，该氮原子被从氢、烷基和芳基中选择的成员取代，或0至1个直接不连接的氧原子，R.sub.3和R.sub.4可以相同也可以不同，独立地选择自氢、1至8个碳原子的低碳烷基、芳基、3至7个成员的脂肪环化合物和R.sub.3和R.sub.4，连同相邻的N原子，形成一个含有0至1个额外氮原子的5至7个成员的环化合物，该氮原子被从氢、烷基和芳基中选择的成员取代，或0至1个直接不连接的氧原子，l、m和n中的每一个为零或1，以及其药用盐。

  公开号：

  US05935997A1

文献信息

• O-THIOCARBAMOYL-AMINOALKANOL COMPOUNDS, THEIR PHARMACEUTICALLY ACCEPTABLE SALTS AND PROCESS FOR PREPARING THE SAME
  申请人：SK Corporation

  公开号：EP1149076B1

  公开（公告）日：2003-10-22
• US5935997A
  申请人：——

  公开号：US5935997A

  公开（公告）日：1999-08-10
• [EN] O-THIOCARBAMOYL-AMINOALKANOL COMPOUNDS, THEIR PHARMACEUTICALLY ACCEPTABLE SALTS AND PROCESS FOR PREPARING THE SAME<br/>[FR] COMPOSES D'O-THIOCARBAMOYL-AMINOALCANOL, LEURS SELS ACCEPTABLES SUR LE PLAN PHARMACEUTIQUE ET LEUR PROCEDE DE PREPARATION
  申请人：SK CORP

  公开号：WO2000046191A1

  公开（公告）日：2000-08-10

  The present invention relates to O-thiocarbamoyl-aminoalkanol compound represented by structural formula (VI) which are a racemic or enantiomerically enriched and pharmaceutically acceptable salts thereof to treat diseases of the central nervous system: wherein Ar is a phenyl group as described in formula (1): wherein R is a member selected from the group consisting of hydrogen, lower alkyl of 1 to 8 carbon atoms, halogen selected from F, CI, Br, and I, alkoxy containing 1 to 3 carbon atoms, thioalkoxy containing 1 to 3 carbon atoms, nitro, hydroxy, or trifluorocarbon, and x is an integer from 1 to 3, with the proviso that R is the same or different when x is 2 or 3. R1 and R2 and R3 and R4 respectively may be same or different from each other and are independently selected from the group consisting of hydrogen, lower alkyl of 1 to 8 carbon atoms, aryl, 3 to 7-membered aliphatic cyclic compounds and R3 and R4, together with the adjoining N-atom, form a 5 to 7-membered cyclic compound which optionally comprises zero to one additional nitrogen atoms substituted with a member selected from the group consisting of hydrogen, alkyl and aryl groups, or zero to one oxygen atoms directly unconnected, each of 1, m and n is zero or 1, and the pharmaceutically acceptable salts thereof.
• O-thiocarbamoyl-aminoalkanol compounds, their pharmaceutically useful
  申请人：Yukong Limited

  公开号：US05935997A1

  公开（公告）日：1999-08-10

  The present invention relates to O-thiocarbamoyl-aminoalkanol compound represented by the following structural formula (VI), (VIII) and (IX) which are a racemic or enantiomerically enriched and pharmaceulically acceptable salts thereof to treat diseases of the central nervous system: ##STR1## wherein Ar is a phenyl group as described as follows: ##STR2## wherein R is a member selected from the group consisting of hydrogen, lower alkyl of 1 to 8 carbon atoms, halogen selected from F, Cl, Br, and I, alkoxy containing 1 to 3 carbon atoms, thioalkoxy containing 1 to 3 carbon atoms, nitro, hydroxy, or taifluorocarbon, and x is an integer from 1 to 3, with the proviso that R is the same or different when x is 2 or 3. R.sub.1 and R.sub.2 may be the same or different from each other and are independently selected from the group consisting of hydrogen, lower alkyl of 1 to 8 carbon atoms, aryl, 3 to 7-membered aliphatic cyclic compounds and R.sub.1 and R.sub.2, together with the adjoining N-atom, form a 5 to 7-membered cyclic compound which optionally comprises zero to one additional nitrogen atoms substituted with a member selected from the group consisting of hydrogen, alkyl and aryl groups, or zero to one oxygen atoms directly unconnected, R.sub.3 and R.sub.4 may be same or different from each other and are independently selected from the group consisting of hydrogen, lower alkyl of 1 to 8 carbon atoms, aryl, 3 to 7-membercd aliphatic cyclic compounds and R.sub.3 and R.sub.4, together with the adjoining N-atom, form a 5 to 7-membered cyclic compound which optidonally comprises zero to one additional nitrogen atoms substituted with a member selected from the group consisting of hydrogen, alkyl and aryl groups, or zero to one oxygen atoms directly unconnected, each of l, m and n is zero or 1, and the pharmaceutically acceptable salts thereof.

  本发明涉及以下结构式（VI）、（VIII）和（IX）所代表的O-硫代氨基醇化合物，其为一个外消旋或旋光异构体富集的药用盐，用于治疗中枢神经系统疾病：其中Ar是如下所述的苯基：其中R是从氢、1至8个碳原子的低碳烷基、从F、Cl、Br和I中选择的卤素、含有1至3个碳原子的烷氧基、含有1至3个碳原子的硫代烷氧基、硝基、羟基或氟氯烷基中选择的一种成员，x是1至3的整数，但R在x为2或3时相同时或不同。R.sub.1和R.sub.2可以相同也可以不同，独立地选择自氢、1至8个碳原子的低碳烷基、芳基、3至7个成员的脂肪环化合物和R.sub.1和R.sub.2，连同相邻的N原子，形成一个含有0至1个额外氮原子的5至7个成员的环化合物，该氮原子被从氢、烷基和芳基中选择的成员取代，或0至1个直接不连接的氧原子，R.sub.3和R.sub.4可以相同也可以不同，独立地选择自氢、1至8个碳原子的低碳烷基、芳基、3至7个成员的脂肪环化合物和R.sub.3和R.sub.4，连同相邻的N原子，形成一个含有0至1个额外氮原子的5至7个成员的环化合物，该氮原子被从氢、烷基和芳基中选择的成员取代，或0至1个直接不连接的氧原子，l、m和n中的每一个为零或1，以及其药用盐。