5-Bromo-2-methoxy-benzamidine | 144650-00-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-Bromo-2-methoxy-benzamidine
• 英文别名: 5-bromo-2-methoxybenzamidine；5-bromo-2-methoxybenzenecarboximidamide
• CAS: 144650-00-0
• 化学式: C₈H₉BrN₂O
• 分子量: 229.076
• InChiKey: IKUQTZCCTIUKGQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  59.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-Bromo-2-methoxy-benzamidine 在 manganese(IV) oxide 、 ammonium hydroxide 、 三乙酰氧基硼氢化钠 、 氯化铵 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 生成 ((S)-1-Benzyl-pyrrolidin-3-ylmethyl)-[2-(5-bromo-2-methoxy-phenyl)-1H-imidazol-4-ylmethyl]-amine
  参考文献：
  名称：

  苯恶唑和苯基噻唑作为苯甲酰胺的生物等排体：合成和多巴胺受体结合特征。

  摘要：

  当氨基甲基吡咯烷衍生物4o证明了D3和D4的结合特性分别与非典型的抗精神病药舒必利和氯氮平相当时，研究了构象受限的苯甲酰胺生物异构体。

  DOI：

  10.1016/s0960-894x(00)00405-4
• 作为产物：
  描述：

  5-溴-2-甲氧基苯甲腈 以 甲醇 、 二氯甲烷 为溶剂， 生成 5-Bromo-2-methoxy-benzamidine
  参考文献：
  名称：

  4-aryl substituted piperazinylmethyl phenylimidazole derivatives; a new

  摘要：

  这项发明涵盖了以下化合物的公式：##STR1## 其中R.sub.1、R.sub.3、R.sub.4、R.sub.6、X、Y和Z是T是变量；M为##STR2## 其中R.sub.2是一个变量；或者R.sub.1和R.sub.2可能代表--(CH.sub.2).sub.n.sbsb.1，其中.sub.n.sbsb.1为1、2或3。这些化合物是高度选择性的部分激动剂或拮抗剂，作用于大脑多巴胺受体亚型或其前体药物，可用于诊断和治疗情感障碍，如精神分裂症和抑郁症，以及某些运动障碍，如帕金森病。此外，本发明的化合物可能有助于治疗与传统神经阻滞剂使用相关的肌张力障碍副作用。

  公开号：

  US05681956A1

文献信息

• Certain 4-aminomethyl-2-substituted imidazole derivatives and 2-aminomethyl-4-substituted imidazole derivatives: new classes of dopamine receptor subtype specific ligands
  申请人：Neurogen Corporation, Corporation of the State of Delaware

  公开号：US20030018025A1

  公开（公告）日：2003-01-23

  Disclosed are compounds of the formula: 1 wherein R 1 represents optionally substituted aryl, heteroaryl, arylalkyl, or cycloalkyl groups; X, Z, and Y are optionally substituted nitrogen or carbon atoms; R 3 and R 4 are organic or inorganic substitutents which may togther form ring structutes; m is zero, one or two; and R 5 and R 6 are are organic or inorganic substituents; and the pharmaceutically acceptable addition salts thereof, which compounds are highly selective partial agonists or antagonists at brain dopamine receptor subtypes or prodrugs thereof and are useful in the diagnosis and treatment of affective disorders such as schizophrenia and depression as well as certain movement disorders such as Parkinsonism.

  揭示了以下式的化合物： 其中R1代表可选择地取代的芳基、杂环芳基、芳基烷基或环烷基基团；X、Z和Y为可选择地取代的氮或碳原子；R3和R4为有机或无机取代基，可能共同形成环结构；m为零、一或二；R5和R6为有机或无机取代基； 以及其药学上可接受的盐， 这些化合物是高度选择性的部分激动剂或拮抗剂，作用于脑多巴胺受体亚型或其前药，并可用于诊断和治疗情感障碍，如精神分裂症和抑郁症，以及某些运动障碍，如帕金森病。
• AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE
  申请人：Raynham Tony Michael

  公开号：US20090247519A1

  公开（公告）日：2009-10-01

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to certain amino-ethyl-amino-aryl (AEAA) compounds which, inter alia, inhibit protein kinase D (PKD) (e.g., PKD1, PKD2, PKD3). The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit PKD, and in the treatment of diseases and conditions that are mediated by PKD, that are ameliorated by the inhibition of PKD, etc., including proliferative conditions such as cancer, etc.

  本发明一般涉及治疗化合物领域，更具体地涉及某些氨基乙基氨基芳基（AEAA）化合物，该化合物在抑制蛋白激酶D（PKD）（例如，PKD1、PKD2、PKD3）方面起作用。本发明还涉及包含这些化合物的药物组合物，以及在体外和体内使用这些化合物和组合物来抑制PKD，并用于治疗由PKD介导的疾病和症状，通过抑制PKD而改善的疾病和症状等，包括增殖性疾病如癌症等。
• 4-aryl substituted piperazinylmethyl phenylimidazole derivatives; a new
  申请人：Neurogen Corporation

  公开号：US05681956A1

  公开（公告）日：1997-10-28

  This invention encompasses compounds of the formulas: ##STR1## where R.sub.1 R.sub.3, R.sub.4, R.sub.6, X, Y, and Z are T are variables; and M is ##STR2## where R.sub.2 is a variable; or R.sub.1 and R.sub.2 together may represent --(CH.sub.2).sub.n.sbsb.1 where .sub.n.sbsb.1 is 1, 2, or 3. These compounds are highly selective partial agonists or antagonists at brain dopamine receptor subtypes or prodrugs thereof and are useful in the diagnosis and treatment of affective disorders such as schizophrenia and depression as well as certain movement disorders such as Parkinsonism. Furthermore compounds of this invention may be useful in treating the extrapyramidal side effects asssociated with the use of conventional neuroleptic agents.

  这项发明涵盖了以下化合物的公式：##STR1## 其中R.sub.1、R.sub.3、R.sub.4、R.sub.6、X、Y和Z是T是变量；M为##STR2## 其中R.sub.2是一个变量；或者R.sub.1和R.sub.2可能代表--(CH.sub.2).sub.n.sbsb.1，其中.sub.n.sbsb.1为1、2或3。这些化合物是高度选择性的部分激动剂或拮抗剂，作用于大脑多巴胺受体亚型或其前体药物，可用于诊断和治疗情感障碍，如精神分裂症和抑郁症，以及某些运动障碍，如帕金森病。此外，本发明的化合物可能有助于治疗与传统神经阻滞剂使用相关的肌张力障碍副作用。
• Certain aminomethyl phenylimidazole derivatives; and 4-aryl substituted
  申请人：Neurogen Corporation

  公开号：US05633376A1

  公开（公告）日：1997-05-27

  This invention encompasses compounds of the formulas: ##STR1## where R.sub.1 R.sub.3, R.sub.4, R.sub.6, X, Y, and Z are T are variables; and M is ##STR2## where R.sub.2 is a variable; or R.sub.1 and R.sub.2 together may represent --(CH.sub.2).sub.n1 where n.sub.1 is 1, 2, or 3. These compounds are highly selective partial agonists or antagonists at brain dopamine receptor subtypes or prodrugs thereof and are useful in the diagnosis and treatment of affective disorders such as schizophrenia and depression as well as certain movement disorders such as Parkinsonism. Furthermore compounds of this invention may be useful in treating the extraparamidyl side effects associated with the use of conventional neuroleptic agents.

  本发明涵盖了以下式子的化合物：##STR1## 其中R.sub.1，R.sub.3，R.sub.4，R.sub.6，X，Y和Z是T变量; M是##STR2## 其中R.sub.2是可变的; 或者R.sub.1和R.sub.2可以代表--(CH.sub.2).sub.n1，其中n.sub.1为1、2或3。这些化合物是高度选择性的部分激动剂或拮抗剂，可作为脑多巴胺受体亚型的诊断和治疗以及某些运动障碍（如帕金森综合症）的药物前体。此外，本发明的化合物可用于治疗与传统神经类药物使用相关的外周副作用。
• Certain aminomethyl phenylimidazole derivatives; a class of dopamine
  申请人：Neurogen Corporation

  公开号：US05159083A1

  公开（公告）日：1992-10-27

  This invention encompasses compounds of the formula: ##STR1## where X, Y, Z, T, R.sub.1, R.sub.3, R.sub.4, and R.sub.5 are variables representing various organic and inorganic substituents; M is ##STR2## R.sub.2 and R.sub.6 represent hydrogen or alkyl substituents; or R.sub.1 and R.sub.2 together may represent --(CH.sub.2).sub.n1 where n.sub.1 is 1, 2, or 3; or NR.sub.4 R.sub.5 represents substituted or unsubstituted-tetrahydroisoquinolinyl; or ##STR3## where n is 1, 2, or 3; W is N or CH; and R.sub.7 represents hydrogen or aryl; or W--R.sub.7 is oxygen or sulfur. These compounds are highly selective partial agonists or antagonists at brain dopamine receptor subtypes or prodrugs thereof and are useful in the diagnosis and treatment of affective disorders such as schizophrenia and depression as well as certain movement disorders such as Parkinsonism. Futhermore compounds of this invention may be useful in treating the extraparamidyl side effects associated with the use of conventional neuroleptic agents.

  该发明涵盖了以下结构的化合物：##STR1## 其中X、Y、Z、T、R.sub.1、R.sub.3、R.sub.4和R.sub.5是代表各种有机和无机取代基的变量；M是##STR2## R.sub.2和R.sub.6代表氢或烷基取代基；或者R.sub.1和R.sub.2一起可以代表--(CH.sub.2).sub.n1，其中n.sub.1为1、2或3；或NR.sub.4 R.sub.5代表取代或未取代的四氢异喹啉基；或##STR3## 其中n为1、2或3；W为N或CH；R.sub.7代表氢或芳基；或W--R.sub.7为氧或硫。这些化合物在大脑多巴胺受体亚型上高度选择性地作为部分激动剂或拮抗剂或其前药，可用于诊断和治疗情感障碍，如精神分裂症和抑郁症，以及某些运动障碍，如帕金森病。此外，本发明化合物可能有用于治疗与传统神经精神药物使用相关的外围副作用。