<1-<(4-fluorophenyl)methyl>-1H-benzimidazol-2-yl>-4-piperidinylmethanone mono(trifluoroacetate) | 124443-71-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: <1-<(4-fluorophenyl)methyl>-1H-benzimidazol-2-yl>-4-piperidinylmethanone mono(trifluoroacetate)
• 英文别名: 1-[[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl][1-(4-piperidinyl)]methanone, trifluoroacetic acid salt；[1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl]-4-piperidinylmethanone, mono (trifluoroacetate)；4-(1-(4-Fluoro-benzyl)-1H-benzoimidazole-2-carbonyl)-piperidine trifluoroacetic acid salt；{1-[(4-fluorophenyl)methyl]-1H-benzimidazol-2-yl}-4-piperidinylmethanone mono(trifluoroacetate)；[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-piperidin-4-ylmethanone;2,2,2-trifluoroacetic acid
• CAS: 124443-71-6
• 化学式: C₂HF₃O₂*C₂₀H₂₀FN₃O
• 分子量: 451.421
• InChiKey: RSAJQPZSDUXGSN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.04
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  84.2
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  <1-<(4-fluorophenyl)methyl>-1H-benzimidazol-2-yl>-4-piperidinylmethanone mono(trifluoroacetate) 、 4'-叔丁基-4-氯丁酰苯 在 potassium iodide 、 potassium hydrogencarbonate 作用下， 以 水 、 甲苯 为溶剂， 生成 1-<4-(1,1-dimethylethyl)phenyl>-4-<4-<<1-<(4-fluorophenyl)methyl>-1H-benzimidazol-2-yl>carbonyl>-1-piperidinyl>-1-butanone
  参考文献：
  名称：

  Antihistaminic piperidinyl benzimidazoles

  摘要：

  该发明涉及一种新型哌啶基苯并咪唑类抗组胺剂，其可用以下结构表示： 其中Y表示CO或CHOH；m是1到2的整数；R表示C.sub.1-4烷基，C.sub.1-4烷氧基，卤素，羟基和氢，X表示氢，COOR.sub.2，其中R.sub.2表示C.sub.1-4烷基，或X是下述结构的烷基苯基基团： 其中T表示CHOH，CO，O，或直接键；R.sub.1表示C.sub.1-4烷基，C.sub.1-4烷氧基，卤素，羟基，2,2-二甲基乙酸和氢；n是1到5的整数；或其药学上可接受的酸盐。

  公开号：

  US04908372A1
• 作为产物：
  描述：

  4-哌啶甲酸甲酯盐酸盐 在 sodium hydroxide 、 正丁基锂 作用下， 以 叔丁醇 为溶剂， 反应 49.0h， 生成 <1-<(4-fluorophenyl)methyl>-1H-benzimidazol-2-yl>-4-piperidinylmethanone mono(trifluoroacetate)
  参考文献：
  名称：

  A highly convergent synthesis of benzimidazolylpiperidines

  摘要：

  DOI：

  10.1021/jo00291a063

文献信息

• Antihistaminic piperidinyl benzimidazoles
  申请人：Merrell Dow Pharmaceuticals Inc.

  公开号：US04908372A1

  公开（公告）日：1990-03-13

  The present invention is directed to a new class of piperidinyl benzimidazole antihistamines which can be described by the following formula: ##STR1## wherein Y is represented by CO or CHOH; m is an integer from 1 to 2; R is represented by C.sub.1-4 alkyl, C.sub.1-4 alkoxy, halogen, hydroxy and hydrogen, X is represented by hydrogen, COOR.sub.2 in which R.sub.2 is represented by a C.sub.1-4 alkyl, or X is an alkylene phenyl radical of the formula: ##STR2## wherein T is represented by CHOH, CO, O, or a direct bond; R.sub.1 is represented by C.sub.1-4 alkyl, C.sub.1-4 alkoxy, halogen, hydroxy, 2,2-dimethyl ethanoic acid and hydrogen; n is an integer from 1 to 5; or a pharmaceutically acceptable acid addition salt thereof.

  该发明涉及一种新型哌啶基苯并咪唑类抗组胺剂，其可用以下结构表示： 其中Y表示CO或CHOH；m是1到2的整数；R表示C.sub.1-4烷基，C.sub.1-4烷氧基，卤素，羟基和氢，X表示氢，COOR.sub.2，其中R.sub.2表示C.sub.1-4烷基，或X是下述结构的烷基苯基基团： 其中T表示CHOH，CO，O，或直接键；R.sub.1表示C.sub.1-4烷基，C.sub.1-4烷氧基，卤素，羟基，2,2-二甲基乙酸和氢；n是1到5的整数；或其药学上可接受的酸盐。
• Substituted N-methyl-N-(4-(piperidin-1-yl)-2-(aryl)butyl)benzamides
  申请人：Hoescht Marion Roussel, Inc.

  公开号：US05998439A1

  公开（公告）日：1999-12-07

  The present invention relates to novel substituted N-methyl-N-(4-(piperidin-1-yl)-2-(aryl)butyl)benzamide derivatives of the formula ##STR1## stereoisomers thereof, and pharmaceutically acceptable salts thereof which are useful as histamine receptor antagonists and tachykinin receptor antagonists. Such antagonists are useful in the treatment of allergic rhinitis, including seasonal rhinitis and sinusitis; inflammatory bowel diseases, including Crohn's disease and ulcerative colitis; asthma; bronchitis; and emesis.

  本发明涉及新的取代N-甲基-N-(4-(哌啶-1-基)-2-(芳基)丁基)苯甲酰胺衍生物，其化学式为##STR1##以及其立体异构体和药学上可接受的盐，这些衍生物可用作组胺受体拮抗剂和快速激肽受体拮抗剂。这些拮抗剂在过敏性鼻炎的治疗中有用，包括季节性鼻炎和鼻窦炎；炎症性肠病，包括克罗恩病和溃疡性结肠炎；哮喘；支气管炎；以及呕吐。
• Antiallergic compounds
  申请人：Merrell Dow Pharmaceuticals Inc.

  公开号：US05380731A1

  公开（公告）日：1995-01-10

  The present invention is directed to a new class of piperidinyl benzimidazoles that are useful in the treatment of allergic disorders.

  本发明涉及一种新型的哌啶基苯并咪唑类化合物，可用于治疗过敏性疾病。
• Process for preparing piperidinyl benzimidazoles
  申请人：Merrell Dow Pharmaceuticals Inc.

  公开号：US05182399A1

  公开（公告）日：1993-01-26

  The present invention is directed to a new class of piperidinyl benzimidazole antihistamines which can be described by the following formula: ##STR1## wherein Y is represented by CO or CHOH; m is an integer from 1 to 2; R is represented by C.sub.1-4 alkyl, C.sub.1-4 alkoxy, halogen, hydroxy and hydrogen; X is represented by hydrogen, COOR.sub.2, in which R.sub.2 is represented by a C.sub.1-4 alkyl, or an alkylene phenyl radical of the formula: ##STR2## wherein T is represented by CHOH, CO, O, or a direct bond; R.sub.1 is represented by C.sub.1-4 alkyl, C.sub.1-4 alkoxy, halogen, hydroxy, 2,2-dimethyl ethanoic acid and hydrogen; n is an integer from 1 to 5; and the pharmaceutically acceptable acid addition salts thereof.

  本发明涉及一种新型的哌啶基苯并咪唑类抗组胺药物，其可由以下公式描述：##STR1## 其中，Y由CO或CHOH表示；m为1至2的整数；R由C.sub.1-4烷基，C.sub.1-4烷氧基，卤素，羟基和氢表示；X由氢，COOR.sub.2（其中，R.sub.2表示C.sub.1-4烷基，或具有以下公式的烷基苯基基团：##STR2## 其中，T由CHOH，CO，O或直接键表示；R.sub.1由C.sub.1-4烷基，C.sub.1-4烷氧基，卤素，羟基，2,2-二甲基乙酸和氢表示；n为1至5的整数；以及其药学上可接受的酸盐。
• Substituted N-methyl-N-(4-(piperidin-1-yl)-2-(aryl)butyl) benzamides useful for the treatment of allergic diseases
  申请人：Aventis Pharmaceuticals Inc.

  公开号：US06297259B1

  公开（公告）日：2001-10-02

  The present invention relates to novel substituted N-methyl-N-(4-(piperidin-1-yl)-2-(aryl)butyl)benzamide derivatives of the formula stereoisomers thereof, and pharmaceutically acceptable salts thereof which are useful as histamine receptor antagonists and tachykinin receptor antagonists. Such antagonists are useful in the treatment of allergic rhinitis, including seasonal rhinitis and sinusitis; inflammatory bowel diseases, including Crohn's disease and ulcerative colitis; asthma; bronchitis; and emesis.

  本发明涉及新型取代的N-甲基-N-(4-(哌啶-1-基)-2-(芳基)丁基)苯甲酰胺衍生物，其立体异构体和药学上可接受的盐，其可作为组织胺受体拮抗剂和速激肽受体拮抗剂。这些拮抗剂可用于过敏性鼻炎的治疗，包括季节性鼻炎和鼻窦炎；炎症性肠病，包括克罗恩病和溃疡性结肠炎；哮喘；支气管炎；以及呕吐。