{2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl}amine dihydrochloride

• 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: {2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl}amine dihydrochloride
• 英文别名: 2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethanamine;hydrochloride
• 化学式: C₁₁H₁₅N₃*2ClH
• 分子量: 262.182
• InChiKey: RLNWOISJRILEBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.96
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  50.4
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  {2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl}amine dihydrochloride 、 [2-(甲苯-4-磺酰基)-1,2,3,4-四氢异喹啉-1-基]乙酸 在 1-羟基苯并三唑 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.25h， 以29%的产率得到N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-2-[2-(4-methylphenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetamide
  参考文献：
  名称：

  Novel bradykinin-1 antagonists containing a (1,2,3,4-tetrahydro-isoquinolin-1-yl)acetic acid scaffold

  摘要：

  A novel B, antagonist core was utilized and the effects of modification of its amide side chain on the biological activity were tested. The imino functional group of isoquinolin-1-ylacetic acid and its 6,7-dimethoxy variant was sulfonylated (4-toluenesulfonyl), while the acetyl side chain was converted to amides. Three of the synthesized compounds exhibited significant activity at the recombinant human B, receptors in binding tests and also in a functional assay. (c) 2007 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2007.10.030
• 作为产物：
  描述：

  2-[4-(4,5-二氢-1H-咪唑-2-基)-苯基]-乙胺 在 盐酸 作用下， 以 甲醇 为溶剂， 反应 1.0h， 生成 {2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl}amine dihydrochloride
  参考文献：
  名称：

  [EN] NEW PHENANTHRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS
  [FR] NOUVEAUX DERIVES DE PHENANTHRIDINE UTILISES COMME ANTAGONISTES DE LA BRADYKININE

  摘要：

  公开号：

  WO2007072092A3

文献信息

• [EN] NEW BRADYKININ B1 ANTAGONISTS<br/>[FR] NOUVEAUX ANTAGONISTES DU RÉCEPTEUR DE LA BRADYKININE B1
  申请人：EVOTEC NEUROSCIENCES GMBH

  公开号：WO2010020556A1

  公开（公告）日：2010-02-25

  The invention relates to compounds of formula (I) wherein R1, R1a, R1b, R2, R3 and X, X1, X2, X3 have the meaning as cited in the description and the claims. Said compounds are useful as Bradykinin B1 antagonists. The invention also relates to pharmaceutical compositions, the preparation of such compounds as well as the production and use as medicament.

  该发明涉及式（I）的化合物，其中R1、R1a、R1b、R2、R3以及X、X1、X2、X3的含义如描述和权利要求中所述。所述化合物可用作Bradykinin B1拮抗剂。该发明还涉及制药组合物、该类化合物的制备以及作为药物的生产和使用。
• NEW BRADYKININ B1 ANTAGONISTS
  申请人：Madden James

  公开号：US20110201589A1

  公开（公告）日：2011-08-18

  The invention relates to compounds of formula (I) wherein R 1 , R 1a , R 1b , R 2 , R 3 and X, X 1 , X 2 , X 3 have the meaning as cited in the description and the claims. Said compounds are useful as Bradykinin B1 antagonists. The invention also relates to pharmaceutical compositions, the preparation of such compounds as well as the production and use as medicament.

  本发明涉及式(I)的化合物，其中R1、R1a、R1b、R2、R3和X、X1、X2、X3的含义如描述和权利要求中所述。所述化合物可用作Bradykinin B1受体拮抗剂。本发明还涉及制备这种化合物的药物组合物，以及作为药物的生产和使用。
• BRADYKININ B1 ANTAGONISTS
  申请人：EVOTEC AG

  公开号：US20140073627A1

  公开（公告）日：2014-03-13

  The invention relates to compounds of formula (I) wherein R 1 , R 1a , R 1b , R 2 , R 3 and X, X 1 , X 2 , X 3 have the meaning as cited in the description and the claims. Said compounds are useful as Bradykinin B1 antagonists. The invention also relates to pharmaceutical compositions, the preparation of such compounds as well as the production and use as medicament.

  本发明涉及公式(I)的化合物，其中R1、R1a、R1b、R2、R3和X、X1、X2、X3的含义如描述和权利要求中所述。所述化合物可用作Bradykinin B1拮抗剂。本发明还涉及制药组合物，制备此类化合物以及作为药物的生产和使用。
• WO2008/50168
  申请人：——

  公开号：——

  公开（公告）日：——
• US8623859B2
  申请人：——

  公开号：US8623859B2

  公开（公告）日：2014-01-07