4-{(1E)-3-oxo-3-[(phenylmethyl)oxy]-1-propen-1-yl}-1-naphthalenecarboxylic acid | 942260-20-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-{(1E)-3-oxo-3-[(phenylmethyl)oxy]-1-propen-1-yl}-1-naphthalenecarboxylic acid
• 英文别名: 4-[(E)-3-oxo-3-phenylmethoxyprop-1-enyl]naphthalene-1-carboxylic acid
• CAS: 942260-20-0
• 化学式: C₂₁H₁₆O₄
• 分子量: 332.356
• InChiKey: OEIPBHPOFNSYKC-ACCUITESSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-{(1E)-3-oxo-3-[(phenylmethyl)oxy]-1-propen-1-yl}-1-naphthalenecarboxylic acid 在 氯化亚砜 、 potassium carbonate 作用下， 以 醋酸异丙酯 、 水 为溶剂， 生成 benzyl (E)-3-(4-(4-(4-(3-(3,3-dimethylpiperidin-1-yl)propoxy)phenyl)piperidine-1-carbonyl)naphthalen-1-yl)acrylate
  参考文献：
  名称：

  Development of the Route of Manufacture of an Oral H₁−H₃ Antagonist

  摘要：

  A new route to an H-1-H-3 antagonist was developed to address scalability and environmental and cost of goods issues associated with the initial route.

  DOI：

  10.1021/op1002598
• 作为产物：
  描述：

  1,4-二溴代萘 在 异丙基氯化镁 、 palladium diacetate 、 三乙胺 、 三苯基膦 、 lithium chloride 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 11.0h， 生成 4-{(1E)-3-oxo-3-[(phenylmethyl)oxy]-1-propen-1-yl}-1-naphthalenecarboxylic acid
  参考文献：
  名称：

  Development of the Route of Manufacture of an Oral H₁−H₃ Antagonist

  摘要：

  A new route to an H-1-H-3 antagonist was developed to address scalability and environmental and cost of goods issues associated with the initial route.

  DOI：

  10.1021/op1002598

文献信息

• 3- (4-{ [4- (4-{ [3-(3, 3-Dimethyl-1-Piperidinyl) Propyl] Oxy} Phenyl) -1-Piperidinyl] Carbonyl}-1-Naphthalenyl) Propanoic or Propenoic Acid as H1 and H3 Receptor Antagonists for the Treatment of Inflammatory and/or Allergic Disorders
  申请人：Hodgson Simon Teanby

  公开号：US20080312280A1

  公开（公告）日：2008-12-18

  The present invention relates to a compound of formula (I), or a salt thereof wherein the naphthalene ring is substituted in the 2, 3, 4, 5, 6, 7 or 8 position by R 1 , and R 1 represents —CH 2 CH 2 COOH or —CH═C(CH 3 )COOH, and to processes for their preparation, to compositions containing them and to their use in the treatment of various inflammatory and/or allergic diseases, such as diseases such as allergic rhinitis.

  本发明涉及一种式（I）的化合物或其盐，其中萘环在2、3、4、5、6、7或8位被R1取代，R1代表—CH2CH2COOH或—CH═C(CH3)COOH，以及它们的制备方法、含有它们的组合物以及它们在治疗各种炎症和/或过敏性疾病（如过敏性鼻炎等疾病）中的用途。
• 3-(4-{ [4-(4-{ [3-(3, 3-dimethyl-1-piperidinyl) propyl] oxy} phenyl)-1-piperidinyl] carbonyl}-1-naphthalenyl) propanoic or propenoic acid as H1 and H3 receptor antagonists for the treatment of inflammatory and/or allergic disorders
  申请人：Glaxo Group Limited

  公开号：US07989629B2

  公开（公告）日：2011-08-02

  The present invention relates to a compound of formula (I), or a salt thereof wherein the naphthalene ring is substituted in the 2, 3, 4, 5, 6, 7 or 8 position by R1, and R1 represents —CH2CH2COOH or —CH═C(CH3)COOH, and to processes for their preparation, to compositions containing them and to their use in the treatment of various inflammatory and/or allergic diseases, such as diseases such as allergic rhinitis.

  本发明涉及公式（I）的化合物或其盐，其中萘环在2、3、4、5、6、7或8位被R1取代，R1代表—CH2CH2COOH或—CH═C（CH3）COOH，并涉及它们的制备过程、含有它们的组合物以及它们在治疗各种炎症和/或过敏性疾病，如过敏性鼻炎等疾病中的应用。
• 3-(4-{[4-(4-{[3-(3,3-DIMETHYL-1-PIPERIDINYL)PROPYL]OXY}PHENYL)-1-PIPERIDINYL]CARBONYL}-1-NAPHTHALENYL)PROPANOIC OR PROPENOIC ACID AS H1 AND H3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY AND/OR ALLERGIC DISORDERS
  申请人：GLAXO GROUP LIMITED

  公开号：EP2157087A1

  公开（公告）日：2010-02-24

  The present invention relates to the use of a compound of formula (I), or a pharmaceutically acceptable salt thereof wherein the naphthalene ring can be substituted in the 2, 3, 4, 5, 6, 7 or 8 position by R1, and R1 represents -CH2CH2COOH or -CH=C(CH3)COOH, in the treatment of various diseases such as nephritis, skin diseases or hypersensitivity reactions.

  本发明涉及式（I）化合物或其药学上可接受的盐的用途 其中萘环可在 2、3、4、5、6、7 或 8 位被 R1 取代，且 R1 代表 -CH2CH2COOH 或 -CH=C(CH3)COOH，用于治疗各种疾病，如肾炎、皮肤病或超敏反应。
• WO2007/71691
  申请人：——

  公开号：——

  公开（公告）日：——
• 3- (4- { [4-(4-{ [3-(3, 3-DIMETHYL-1-PIPERIDINYL) PROPYL[0XY] PHENYL) -1-PIPERIDINYL CARBONYL }-1-NAPHTHALENYL) PROPANOIC OR PROPENOIC ACID AS H1 AND H3 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY AND/OR ALLERGIC DISORDERS
  申请人：GLAXO GROUP LIMITED

  公开号：EP1963307B1

  公开（公告）日：2009-11-25