11-(2-carboxyethylthio)-2-(7-chloro-6-fluoroquinolin-2-yl)methoxy-6,11-dihydrodibenz[b,e]oxepine | 165110-82-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噁庚英
• 英文名称: 11-(2-carboxyethylthio)-2-(7-chloro-6-fluoroquinolin-2-yl)methoxy-6,11-dihydrodibenz[b,e]oxepine
• 英文别名: 3-((2-((7-Chloro-6-fluoro-2-quinolinyl)methoxy)-6,11-dihydrodibenz(b,E)oxepin-11-yl)thio)propanoic acid, (+)-；3-[[2-[(7-chloro-6-fluoroquinolin-2-yl)methoxy]-6,11-dihydrobenzo[c][1]benzoxepin-11-yl]sulfanyl]propanoic acid
• CAS: 165110-82-7
• 化学式: C₂₇H₂₁ClFNO₄S
• 分子量: 509.985
• InChiKey: KGBKEIVIDHHUFB-UHFFFAOYSA-N

物化性质

• 沸点：
  688.5±55.0 °C(Predicted)
• 密度：
  1.45±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  35
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  94
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  2-(7-chloro-6-fluoroquinolin-2-yl)methoxy-11-hydroxy-6,11-dihydrodibenz[b,e]oxepine 、 3-巯基丙酸 在 三氟乙酸 作用下， 以 (2S)-N-methyl-1-phenylpropan-2-amine hydrate 、 二氯甲烷 为溶剂， 生成 11-(2-carboxyethylthio)-2-(7-chloro-6-fluoroquinolin-2-yl)methoxy-6,11-dihydrodibenz[b,e]oxepine
  参考文献：
  名称：

  Quinoline derivative

  摘要：

  这项发明涉及一种化合物（喹啉衍生物），其化学式表示为（I）：##STR1## 本发明的喹啉衍生物具有强烈的白三烯拮抗作用，极其适用作为抗过敏药物和抗炎药物。

  公开号：

  US05591752A1

文献信息

• Tricyclic compounds
  申请人：——

  公开号：US20030216571A1

  公开（公告）日：2003-11-20

  The present invention is to provide novel tricyclic compounds having leukotriene antagonistic action and represented by the formula: 1 wherein R 1 represents a halogen atom, etc., R 2 represents a nitro group, etc., A represents a 5-membered or a 6-membered heteroaromatic ring group containing 1 to 3 hetero atoms selected from the group consisting of a nitrogen atom, an oxygen atom and a sulfur atom, etc., B represents a formula: —OCH 2 —, etc., X represents a sulfur atom, etc., Y represents C 1 -C 10 alkylene group which may have a halogen atom, etc. as a substituent(s), Z represents a carboxyl group whic may be protected, etc., represents a single bond or a double bond, m is an integer of 1 to 4, n is an integer of 1 to 3, or a pharmaceutically acceptable salt thereof.

  本发明提供了一种具有白三烯拮抗作用的新颖三环化合物，该化合物由下式表示： 1 其中R 1 代表卤素原子等，R 2 代表硝基等，A代表含1至3个杂原子的5元或6元杂芳环基团，杂原子选自由氮原子、氧原子和硫原子等组成的组，B代表公式：—OCH 2 —等，X代表硫原子等，Y代表C 1 -C 10 的烷基链，该烷基链可作为取代基，Z代表可能被保护的羧基等， 代表单键或双键， m是1至4的整数，n是1至3的整数，或其药用可接受的盐。
• Dibenzocycloheptene compound
  申请人：——

  公开号：US20040180884A1

  公开（公告）日：2004-09-16

  The present invention discloses a dibenzocycloheptene compound represented by the formula (I): 1 wherein R 1 : hydrogen atom, halogen atom, etc., R 2 hydrogen atom, halogen atom, etc., A: 5-membered or 6-membered heteroaromatic ring group containing 1 to 3 hetero atom(s) selected from the group consisting of nitrogen atom, oxygen atom and sulfur atom, and the heteroaromatic ring group, etc. may have halogen atom, nitrogen atom, etc. as substituent(s),.B: formula; —CH═CH—, formula; —CH 2 O—, etc., Y: C 1 -C 10 alkylene group which may have halogen atom, etc. as substituent(s), etc., Z: carboxyl group which may be protected, etc., m: an integer of 1 to 4, n: an integer of 1 to 3, represents a single bond or a double bond, or a pharmaceutically acceptable salt thereof and a medical composition containing the same as an effective ingredient which has leukotriene C 4 antagonistic action and leukotriene E 4 antagonistic action in addition to potent leukotriene D 4 antagonistic action, and useful as antiasthmatic agent, antiallergic agent and anti-inflammatory agent.

  本发明揭示了一种由式(I)表示的二苯并环庚烯化合物：1其中，R1：氢原子、卤素原子等；R2：氢原子、卤素原子等；A：5-或6-成员的杂芳环基团，包含从氮原子、氧原子和硫原子组成的1至3个杂原子，所述杂芳环基团等可以具有卤素原子、氮原子等作为取代基；B：式；-CH═CH-，式；-CH2O-等；Y：C1-C10烷基，可以具有卤素原子等作为取代基；Z：羧基，可以被保护等；m：1至4的整数，n：1至3的整数；表示单键或双键，或其药学上可接受的盐，以及含有其作为有效成分的医药组合物，具有白三烯C4拮抗作用和白三烯E4拮抗作用，除了强大的白三烯D4拮抗作用外，还可作为抗哮喘剂、抗过敏剂和抗炎剂。
• QUINOLINE DERIVATIVE
  申请人：UBE INDUSTRIES, LTD.

  公开号：EP0685478A1

  公开（公告）日：1995-12-06

  A compound (quinoline derivative) represented by general formula (I) and having such a potent leucotriene antagonism that it is significantly useful as an antiallergic and an anti-inflammatory.

  一种由通式（I）表示的化合物（喹啉衍生物），它具有强烈的白三烯拮抗作用，因此可作为抗过敏剂和消炎剂。
• TRICYCLIC COMPOUNDS
  申请人：Ube Industries, Ltd.

  公开号：EP1254897A1

  公开（公告）日：2002-11-06

  The present invention is to provide novel tricyclic compounds having leukotriene antagonistic action and represented by the formula:    wherein R1 represents a halogen atom, etc., R2 represents a nitro group, etc., A represents a 5-membered or a 6-membered heteroaromatic ring group containing 1 to 3 hetero atoms selected from the group consisting of a nitrogen atom, an oxygen atom and a sulfur atom, etc., B represents a formula: -OCH2-, etc., X represents a sulfur atom, etc., Y represents C1-C10 alkylene group which may have a halogen atom, etc. as a substituent(s), Z represents a carboxyl group whic may be protected, etc., ------ represents a single bond or a double bond,    m is an integer of 1 to 4, n is an integer of 1 to 3, or a pharmaceutically acceptable salt thereof.

  本发明旨在提供具有白三烯拮抗作用并由式表示的新型三环化合物： 其中R1代表卤原子等，R2代表硝基等，A代表5元或6元杂芳环基团，其中含有1至3个选自氮原子、氧原子和硫原子等组成的杂原子，B代表式：X代表硫原子等，Y代表C1-C10亚烷基，可带有卤素原子等作为取代基，Z代表可被保护的羧基等，------ 代表单键或双键、 m 是 1 到 4 的整数，n 是 1 到 3 的整数、 或其药学上可接受的盐。
• DIBENZOCYCLOHEPTENE COMPOUND
  申请人：Ube Industries, Ltd.

  公开号：EP1408033A1

  公开（公告）日：2004-04-14

  The present invention discloses a dibenzocycloheptene compound represented by the formula (I):    wherein R1: hydrogen atom, halogen atom, etc., R2: hydrogen atom, halogen atom, etc., A: 5-membered or 6-membered heteroaromatic ring group containing 1 to 3 hetero atom(s) selected from the group consisting of nitrogen atom, oxygen atom and sulfur atom, and the heteroaromatic ring group, etc. may have halogen atom, nitrogen atom, etc. as substituent(s), B: formula; -CH=CH-, formula; -CH2O-, etc., Y: C1-C10 alkylene group which may have halogen atom, etc. as substituent(s), etc., Z: carboxyl group which may be protected, etc., m: an integer of 1 to 4, n: an integer of 1 to 3,    ------ represents a single bond or a double bond, or a pharmaceutically acceptable salt thereof and a medical composition containing the same as an effective ingredient which has leukotriene C4 antagonistic action and leukotriene E4 antagonistic action in addition to potent leukotriene D4 antagonistic action, and useful as antiasthmatic agent, antiallergic agent and anti-inflammatory agent.

  本发明公开了一种由式（I）表示的二苯并环庚烯化合物： 其中 R1：氢原子、卤素原子等；R2：氢原子、卤素原子等；A：5 元或 6 元杂芳环基团，含有 1 至 3 个选自氮原子、氧原子和硫原子组成的杂原子，且该杂芳环基团等可具有卤素原子、氮原子等作为取代基；B：式中；-CH=CH-、式中；-CH2O-等、Y：C1-C10 亚烷基，可有卤素原子等作为取代基等，Z：羧基，可被保护等，m：1 至 4 的整数，n：1 至 3 的整数、 ------ 代表单键或双键、 或其药学上可接受的盐，以及以其为有效成分的医用组合物，该组合物除具有强效的白三烯 D4 拮抗作用外，还具有白三烯 C4 拮抗作用和白三烯 E4 拮抗作用，可用作抗哮喘剂、抗过敏剂和抗炎剂。