2-(p-methoxybenzyl)tetrazole-5-carbonyl chloride | 100245-19-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-(p-methoxybenzyl)tetrazole-5-carbonyl chloride
• 英文别名: 2-(4-methoxybenzyl)-2H-tetrazole-5-carbonyl chloride；2-(4-Methoxy-benzyl)-2H-tetrazole-5-carbonyl chloride；2-[(4-methoxyphenyl)methyl]tetrazole-5-carbonyl chloride
• CAS: 100245-19-0
• 化学式: C₁₀H₉ClN₄O₂
• 分子量: 252.66
• InChiKey: IDSZQQQVKUTSPK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  69.9
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(p-methoxybenzyl)tetrazole-5-carbonyl chloride 在 三乙醇胺 作用下， 以 4-(dicyanomethylene)-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran 、 三氟乙酸 为溶剂， 生成 (R)-4-(3'-chlorobiphenyl-4-yl)-3-[(2H-tetrazole-5-carbonyl)amino]butyric acid ethyl ester
  参考文献：
  名称：

  METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY

  摘要：

  本发明提供了中性内切肽酶抑制剂的使用，用于制造用于治疗、改善和/或预防造影剂诱导性肾病的药物。该发明还涉及使用化合物Formula I中的化合物：其中R1、R2、R3、R5、X、A3、B1、s和n在此处定义，用于治疗、改善和/或预防造影剂诱导性肾病。本发明进一步提供了用于治疗、改善和/或预防造影剂诱导性肾病的药理活性剂的组合。

  公开号：

  US20120122844A1
• 作为产物：
  描述：

  potassium 2-(p-methoxybenzyl)tetrazole-5-carboxylate 在 吡啶 、 氯化亚砜 作用下， 以 甲苯 为溶剂， 反应 1.0h， 生成 2-(p-methoxybenzyl)tetrazole-5-carbonyl chloride
  参考文献：
  名称：

  Synthesis and quantitative structure-activity relationships of antiallergic 2-hydroxy-N-(1H-tetrazol-5-yl)benzamides and N-(2-hydroxyphenyl)-1H-tetrazole-5-carboxamides

  摘要：

  The synthesis and antiallergic activity of a series of 2-hydroxy-N-1H-tetrazol-5-ylbenzamides and isomeric N-(2-hydroxyphenyl)-1H-tetrazole-5-carboxamides is described. A relationship between structure and intravenous antiallergic activity in the rat passive cutaneous anaphylaxis (PCA) test has been established using a Hansch/Free-Wilson model and used to direct studies toward potent derivatives. The contribution of physicochemical properties to activity is discussed. One member of this series, N-(3-acetyl-5-fluoro-2-hydroxyphenyl)-1H-tetrazole-5-carboxamide (3f), which was selected for further evaluation, has an ID50 value of 0.16 mg/kg po and is 130 times more potent than disodium cromoglycate (DSCG) on intravenous administration.

  DOI：

  10.1021/jm00154a019

文献信息

• [EN] SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS<br/>[FR] DÉRIVÉS AMINOPROPIONIQUES SUBSTITUÉS COMME INHIBITEURS DE NÉPRILYSINE
  申请人：NOVARTIS AG

  公开号：WO2010136493A1

  公开（公告）日：2010-12-02

  The present invention provides a compound of formula I' or a pharmaceutically acceptable salt thereof, wherein R1, R2, R3, R5, B1, X and n are defined herein. The invention also relates a method for manufacturing the compounds of the invention, and its therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.

  本发明提供了公式I'的化合物或其药学上可接受的盐，其中R1、R2、R3、R5、B1、X和n在此定义。本发明还涉及一种制造所述化合物的方法及其治疗用途。本发明进一步提供了药理活性剂的组合和药物组合物。
• Substituted aminopropionic derivatives as neprilysin inhibitors
  申请人：Coppola Gary Mark

  公开号：US08394853B2

  公开（公告）日：2013-03-12

  The present invention provides a compound of formula I′; or a pharmaceutically acceptable salt thereof, wherein R1, R2, R3, R5, B1, X and n are defined herein. The invention also relates a method for manufacturing the compounds of the invention, and its therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.

  本发明提供了I'式化合物；或其药学上可接受的盐，其中R1、R2、R3、R5、B1、X和n在此定义。本发明还涉及制备本发明化合物的方法及其治疗用途。本发明还提供了一种药理活性剂的组合物和制药组合物。
• SUBSTITUTED AMINOPROPIONIC DERIVATIVES AS NEPRILYSIN INHIBITORS
  申请人：COPPOLA Gary Mark

  公开号：US20140296240A1

  公开（公告）日：2014-10-02

  The present invention provides a compound of formula I′; or a pharmaceutically acceptable salt thereof, wherein R 1 , R 2 , R 3 , R 5 , B 1 , X and n are defined herein. The invention also relates a method for manufacturing the compounds of the invention, and its therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.

  本发明提供了式I'的化合物；或其药学上可接受的盐，其中R1、R2、R3、R5、B1、X和n在此定义。本发明还涉及制造本发明化合物的方法及其治疗用途。本发明还提供了一种药理活性剂的组合和制药组合物。
• Method of treating contrast-induced nephropathy
  申请人：Foo Shi Yin

  公开号：US08993631B2

  公开（公告）日：2015-03-31

  The present invention provides the use of a neutral endopeptidase inhibitor, in the manufacture of a medicament for the treatment, amelioration and/or prevention of contrast-induced nephropathy. The invention also relates to the use of a compound of Formula I: wherein R1, R2, R3, R5, X, A3, B1, s and n are defined herein, for the treatment, amelioration and/or prevention of contrast-induced nephropathy. The present invention further provides a combination of pharmacologically active agents for use in the treatment, amelioration and/or prevention of contrast-induced nephropathy.

  本发明提供了使用中性内肽酶抑制剂制造药物，用于治疗、改善和/或预防造影剂诱导性肾病的方法。本发明还涉及使用式I化合物：其中R1、R2、R3、R5、X、A3、B1、s和n在此定义，用于治疗、改善和/或预防造影剂诱导性肾病的方法。本发明还提供了一种药理活性剂的组合，用于治疗、改善和/或预防造影剂诱导性肾病。
• Substituted Aminopropionic Derivatives as Neprilysin inhibitors
  申请人：Coppola Gary Mark

  公开号：US20100305131A1

  公开（公告）日：2010-12-02

  The present invention provides a compound of formula I′; or a pharmaceutically acceptable salt thereof, wherein R 1 , R 2 , R 3 , R 5 , B 1 , X and n are defined herein. The invention also relates a method for manufacturing the compounds of the invention, and its therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.

  本发明提供了式I'的化合物；或其药学上可接受的盐，其中R1、R2、R3、R5、B1、X和n在此定义。本发明还涉及制造该化合物的方法及其治疗用途。本发明进一步提供了一种药理活性剂的组合和制药组合物。