N,N'-dimethyl-benzamidine; hydrochloride | 5504-23-4

• 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: N,N'-dimethyl-benzamidine; hydrochloride
• 英文别名: N,N'-Dimethyl-benzamidin; Hydrochlorid；N,N'-dirnethylbenzenecarboximidamide hydrochloride；N,N'-Dimethylbenzamidin-hydrochlorid；N,N'-dimethylbenzenecarboximidamide;hydrochloride
• CAS: 5504-23-4
• 化学式: C₉H₁₂N₂*ClH
• 分子量: 184.669
• InChiKey: YIJSECNEKZTVRB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  24.4
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N,N'-dimethyl-benzamidine; hydrochloride 、 苯甲酰氯 在 sodium hydroxide 作用下， 生成 N¹-benzoyl-N¹,N²-dimethylbenzamidine
  参考文献：
  名称：

  Crook,S.; Sykes,P., Journal of the Chemical Society. Perkin transactions I, 1977, p. 1791 - 1796

  摘要：

  DOI：
• 作为产物：
  描述：

  N,N'-dimethylbenzoamidine 、 盐酸 生成 N,N'-dimethyl-benzamidine; hydrochloride
  参考文献：
  名称：

  MOREAU R. C.; LOISEAU P.; VAIREL E. G.; SACHE E., EUR. J. MED. CHEM., 1977, 12,

  摘要：

  DOI：

文献信息

• 3-(1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS
  申请人：Bonanomi Giorgio

  公开号：US20090124629A1

  公开（公告）日：2009-05-14

  The present invention relates to novel compounds of formula (I) or pharmaceutically acceptable salt thereof: wherein G is selected from a group consisting of: phenyl, pyridyl, benzothiazolyl and indazolyl; p is an integer ranging from 0 to 5; R 1 is independently selected from a group consisting of: halogen, hydroxy, cyano, C 1-4 alkyl, haloC 1-4 alkyl, C 1-4 alkoxy, haloC 1-4 alkoxy, C 1-4 alkanoyl and SF 5 ; or corresponds to a group R 5 ; each R 2 is independently hydrogen, fluorine or C 1-4 alkyl; n is 2, 3, 4, or 5; R 3 is C 1-4 alkyl; R 4 is hydrogen, or a C 1-4 alkyl group, a benzyl group, a phenyl group, a heterocyclyl group, a 5- or 6-membered heteroaromatic group, or a 8- to 11-membered bicyclic group, any of which groups is optionally substituted by 1, 2, 3 or 4 substituents selected from the group consisting of: halogen, cyano, C 1-4 alkyl, haloC 1-4 alkyl, C 1-4 alkoxy, haloC 1-4 alkoxy, C 1-4 alkanoyl and SF 5 ;or R 4 is a —SR 6 group; R 5 is selected from a group consisting of: isoxazolyl, —CH 2 —N-pyrrolyl, 1,1-dioxido- 2-isothiazolidinyl, thienyl, thiazolyl, pyridyl and 2-pyrrolidinonyl, and such a group is optionally substituted by one or two substituents selected from a group consisting of: halogen, cyano, C 1-4 alkyl, haloC 1-4 alkyl, C 1-4 alkoxy and C 1-4 alkanoyl; R 6 is C 1-4 alkyl or —CH 2 C 3-4 cycloalkyl; and when R 1 is chlorine and p is 1, such R 1 is not present in the ortho position with respect to the linking bond to the rest of the molecule; and when R 1 corresponds to R 5 , p is 1. processes for their preparation, intermediates used in these processes, pharmaceutical compositions containing them and their use in therapy, as modulators of dopamine D 3 receptors, e.g. to treat drug dependency, as antipsychotic agents, to treat obsessive compulsive spectrum disorders, premature ejaculation or cognition impairment.

  本发明涉及以下式（I）的新化合物或其药学上可接受的盐：其中G选自以下组：苯基，吡啶基，苯并噻唑基和吲唑基；p为0至5的整数；R1独立选自以下组：卤素，羟基，氰基，C1-4烷基，卤代C1-4烷基，C1-4烷氧基，卤代C1-4烷氧基，C1-4酰基和SF5；或对应于R5基团；每个R2独立地为氢，氟或C1-4烷基；n为2、3、4或5；R3为C1-4烷基；R4为氢，或C1-4烷基，苄基，苯基，杂环基，5-或6-成员杂芳基，或8-至11-成员双环基团，其中任何一个基团可以选择地由1、2、3或4个来自以下组的取代基取代：卤素，氰基，C1-4烷基，卤代C1-4烷基，C1-4烷氧基，卤代C1-4烷氧基，C1-4酰基和SF5；或R4为-SR6基团；R5选自以下组：异噁唑基，-CH2-N-吡咯基，1,1-二氧化-2-异噻唑烷基，噻唑基，吡啶基和2-吡咯烷基，并且此类基团可以选择地由1或2个来自以下组的取代基取代：卤素，氰基，C1-4烷基，卤代C1-4烷基，C1-4烷氧基和C1-4酰基；R6为C1-4烷基或-CH2C3-4环烷基；当R1为氯且p为1时，此类R1不在与分子的其余部分的连接键的正交位置上存在；当R1对应于R5时，p为1。本发明还涉及制备这些化合物的方法，用于这些方法的中间体，包含它们的药物组合物以及它们作为多巴胺D3受体调节剂的用途，例如用于治疗药物依赖，作为抗精神病药物，用于治疗强迫症谱系障碍，早泄或认知障碍。
• 3-(1,2,4-triazol-3-ylalkyl) azabicyclo (3.1.0) hexane derivatives as modulators of dopamine D3 receptors
  申请人：Glaxo Group Limted

  公开号：US07947683B2

  公开（公告）日：2011-05-24

  The present invention relates to novel compounds of formula (I) or pharmaceutically acceptable salt thereof: processes for their preparation, intermediates used in these processes, pharmaceutical compositions containing them and their use in therapy, as modulators of dopamine D3 receptors, e.g. to treat drug dependency, as antipsychotic agents, to treat obsessive compulsive spectrum disorders, premature ejaculation or cognition impairment.

  本发明涉及化合物的新型公式（I）或其药学上可接受的盐：制备它们的过程，用于这些过程的中间体，包含它们的制药组合物以及它们作为多巴胺D3受体调节剂的治疗用途，例如治疗药物依赖，作为抗精神病药物，治疗强迫症谱系障碍，早泄或认知障碍。
• WO2006/108701
  申请人：——

  公开号：——

  公开（公告）日：——
• NIFANTEV, EH. E.;GRACHEV, M. K.;BEKKER, A. R., ZH. OBSHCH. XIMII, 59,(1989) N, S. 2127
  作者：NIFANTEV, EH. E.、GRACHEV, M. K.、BEKKER, A. R.

  DOI：——

  日期：——
• 3- (1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS
  申请人：GLAXO GROUP LIMITED

  公开号：EP1869017A1

  公开（公告）日：2007-12-26