4-甲氧基-3-[(甲基氨基)磺酰基]苯甲酸 | 576169-99-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-甲氧基-3-[(甲基氨基)磺酰基]苯甲酸
• 英文名称: 4-methoxy-3-(N-methylsulfamoyl)benzoic acid
• 英文别名: 4-Methoxy-3-(methylsulfamoyl)benzoic acid
• CAS: 576169-99-8
• 化学式: C₉H₁₁NO₅S
• mdl: MFCD06355954
• 分子量: 245.256
• InChiKey: XKBCISMVWOJEGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2935009090

反应信息

• 作为反应物：
  描述：

  4-甲氧基-3-[(甲基氨基)磺酰基]苯甲酸 、 (S)-3,5-dichloro-4-(2-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)-2-hydroxyethyl)pyridine 1-oxide 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 48.0h， 以52%的产率得到(S)-3,5-dichloro-4-(2-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)-2-(4-methoxy-3-(N-methylsulfamoyl)-benzoyloxy)ethyl)pyridine 1-oxide
  参考文献：
  名称：

  Novel Class of Benzoic Acid Ester Derivatives as Potent PDE4 Inhibitors for Inhaled Administration in the Treatment of Respiratory Diseases

  摘要：

  The first steps in the selection process of a new anti-inflammatory drug for the inhaled treatment of asthma and chronic obstructive pulmonary disease are herein described. A series of novel ester derivatives of 1-(3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl)-2-(3,5-di-chloropyriclin-4-yl) ethanol have been synthesized and evaluated for inhibitory activity toward cAMP-specific phosphodiesterase-4 (PDE4). In particular, esters of variously substituted benzoic acids were extensively explored, and structural modification of the alcoholic and benzoic moieties were performed to maximize the inhibitory potency. Several compounds with high activity in cell-free and cell-based assays were obtained. Through the evaluation of opportune in vitro ADME properties, a potential candidate suitable for inhaled administration in respiratory diseases was identified and tested in an in vivo model of pulmonary inflammation, proving its efficacy.

  DOI：

  10.1021/jm401549m
• 作为产物：
  描述：

  3-氯磺酰基-4-甲氧基苯甲酸 、 甲胺 以 水 为溶剂， 生成 4-甲氧基-3-[(甲基氨基)磺酰基]苯甲酸
  参考文献：
  名称：

  EP1489077

  摘要：

  公开号：

文献信息

• 2-Furancarboxylic acid hydrazides and pharmaceutical compositions containing the same
  申请人：Fujii Akihito

  公开号：US20050171196A1

  公开（公告）日：2005-08-04

  The present invention provides 2-furancarboxylic acid hydrazide compounds represented by General Formula (I) below, and prodrugs, physiologically acceptable salts, hydrates, solvates thereof, methods for producing them and pharmaceutical compositions containing them: wherein A is a group represented by Formula (a) or the like: (wherein either R 4 or R 5 represents cyano, nitro or the like, and the other represents a hydrogen atom or the like); either R 1 or R 2 represents a group: -D-(X)m-R 6 or the like, and the other represents a group: -E-(Y)n-R 7 , hydrogen atom, aryl or the like; R 3 is a hydrogen atom or the like; D and E independently represent aryl; X and Y independently represent O or the like; R 6 and R 7 independently represent alkyl, aryl, arylalkyl or the like; and m and n are independently 0 or 1, provided that the aryl is optionally substituted. Such compounds exhibit a potent antagonistic activity on glucagon receptor and are of use as preventive and/or therapeutic agents for symptoms and diseases in which glucagon is involved.

  本发明提供了由下列通式（I）表示的2-呋喃羧酸肼化合物，以及它们的前药、生理上可接受的盐、水合物、溶剂化物、制备方法和含有它们的制药组合物：其中A是由式（a）或类似式表示的基团：（其中R4或R5代表氰基、硝基或类似物，另一个代表氢原子或类似物）；R1或R2代表基团：-D-(X)m-R6或类似物，另一个代表基团：-E-(Y)n-R7、氢原子、芳基或类似物；R3是氢原子或类似物；D和E独立地表示芳基；X和Y独立地表示O或类似物；R6和R7独立地表示烷基、芳基、芳基烷基或类似物；m和n独立地表示0或1，但芳基可选择性地被取代。这些化合物表现出强大的胰高血糖素受体拮抗活性，并且可用作预防和/或治疗胰高血糖素参与的症状和疾病的药物。
• 2-FURANCARBOXYLIC ACID HYDRAZIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME
  申请人：DAINIPPON PHARMACEUTICAL CO., LTD.

  公开号：EP1489077A1

  公开（公告）日：2004-12-22

  The present invention provides 2-furancarboxylic acid hydrazide compounds represented by General Formula (I) below, and prodrugs, physiologically acceptable salts, hydrates, solvates thereof, methods for producing them and pharmaceutical compositions containing them: wherein A is a group represented by Formula (a) or the like: (wherein either R4 or R5 represents cyano, nitro or the like, and the other represents a hydrogen atom or the like); either R1 or R2 represents a group: -D-(X)m-R6 or the like, and the other represents a group: -E-(Y)n-R7, hydrogen atom, aryl or the like; R3 is a hydrogen atom or the like; D and E independently represent aryl; X and Y independently represent 0 or the like; R6 and R7 independently represent alkyl, aryl, arylalkyl or the like; and m and n are independently 0 or 1, provided that the aryl is optionally substituted. Such compounds exhibit a potent antagonistic activity on glucagon receptor and are of use as preventive and/or therapeutic agents for symptoms and diseases in which glucagon is involved.

  本发明提供由通式表示的 2-呋喃羧酸酰肼化合物 (I)代表的2-呋喃羧酸酰肼化合物及其原药、生理上可接受的盐、水合物、溶液，以及生产它们的方法和含有它们的药物组合物： 其中 A 是由式（a）代表的基团或类似基团： (其中 R4 或 R5 代表氰基、硝基或类似物，另一个代表氢原子或类似物）； R1 或 R2 代表一个基团：-D-(X)m-R6 或类似基团，另一个代表一个基团：-E-(Y)n-R7、氢原子、芳基或类似基团； R3 是氢原子或类似物； D 和 E 各自代表芳基； X 和 Y 独立地代表 0 或类似物； R6 和 R7 独立地代表烷基、芳基、芳烷基或类似物；以及 m 和 n 独立地为 0 或 1，前提是芳基被任选取代。此类化合物对胰高血糖素受体具有强效的拮抗活性，可用作胰高血糖素相关症状和疾病的预防和/或治疗药物。
• US7514452B2
  申请人：——

  公开号：US7514452B2

  公开（公告）日：2009-04-07
• US7645771B2
  申请人：——

  公开号：US7645771B2

  公开（公告）日：2010-01-12
• EP1489077
  申请人：——

  公开号：——

  公开（公告）日：——