sodium 3-{[3-[(E)-2-(5,6,7,8-tetrahydroquinolin-2-yl)ethenyl]-9-trifluoromethyl-5H-dibenzo[a,d]cyclohepten-5-yl]thio}propionate | 482577-98-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 英文名称: sodium 3-{[3-[(E)-2-(5,6,7,8-tetrahydroquinolin-2-yl)ethenyl]-9-trifluoromethyl-5H-dibenzo[a,d]cyclohepten-5-yl]thio}propionate
• 英文别名: sodium;3-[[5-[(E)-2-(5,6,7,8-tetrahydroquinolin-2-yl)ethenyl]-12-(trifluoromethyl)-2-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaenyl]sulfanyl]propanoate
• CAS: 482577-98-0
• 化学式: C₃₀H₂₅F₃NO₂S*Na
• 分子量: 543.585
• InChiKey: HQAJFEUXTACOLP-KJEVSKRMSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  38
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  78.3
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• 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。
• 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。
• US7309718B2
  申请人：——

  公开号：US7309718B2

  公开（公告）日：2007-12-18