3-[(E)-2-(4-Phenyl-1,3-thiazol-2-yl)-1-ethenyl]aniline | 113174-91-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-[(E)-2-(4-Phenyl-1,3-thiazol-2-yl)-1-ethenyl]aniline
• 英文别名: 2-(trans-3-aminostyryl)-4-phenylthiazole；3-[(E)-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]aniline
• CAS: 113174-91-7
• 化学式: C₁₇H₁₄N₂S
• 分子量: 278.378
• InChiKey: WQRWJZPSASXBGQ-MDZDMXLPSA-N

物化性质

• 沸点：
  531.3±60.0 °C(Predicted)
• 密度：
  1.248±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  67.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-[(E)-2-(4-Phenyl-1,3-thiazol-2-yl)-1-ethenyl]aniline 生成 2-methyl-2-[3-[(E)-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]phenyl]sulfanylpropanoic acid
  参考文献：
  名称：

  XAYASI, JOSIO;OGURI, TOAKI;KOYA, RIKIDZO;YAMADA, NOBORU

  摘要：

  DOI：
• 作为产物：
  描述：

  3-硝基肉桂酸 在 劳森试剂 、 氯化亚砜 、 乙醇 、 氨 、 tin(ll) chloride 作用下， 以 乙醇 为溶剂， 生成 3-[(E)-2-(4-Phenyl-1,3-thiazol-2-yl)-1-ethenyl]aniline
  参考文献：
  名称：

  MexAB-OprM-Specific efflux pump inhibitors in Pseudomonas aeruginosa. Part 1: Discovery and early strategies for lead optimization

  摘要：

  The identification of a series of compounds that specifically inhibit efflux by the MexAB-OprM pump system in Pseudomonas aeruginosa is described. Synthesis and in vitro structure-activity relationships (SARs) are outlined. Early leads lacked activity in animal models, and efforts to improve solubility and reduce serum protein binding by the introduction of polar groups are discussed. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.07.024

文献信息

• Thiazole derivative and leukotriene antagonist containing the same as
  申请人：Mitsubishi Kasei Corporation

  公开号：US04902700A1

  公开（公告）日：1990-02-20

  Disclosed are a thiazole derivative represented by the following formula, a pharmaceutically acceptable salt thereof and leukotriene antagonist containing the same as the active ingredients: ##STR1## wherein R.sub.1 and R.sub.2 each independently represent a hydrogen atom, an alkyl group having 1 to 8 carbon atoms, a lower alkoxycarbonyl group or a substituted or unsubstituted phenyl group or cooperatively represent a tetramethylene group corresponding to a fused cyclohexane ring or a butadienylene group which is unsubstituted or substituted with a halogen atom, a lower alkoxy group, a lower alkoxycarbonyl group or an alkyl group having 1 to 3 carbon atoms corresponding to a fused benzene ring; R.sub.3, R.sub.4, R.sub.5 and R.sub.6 each independently represent a hydrogen atom, a hydroxyl group, a lower alkoxy group, an alkyl group having 1 to 3 carbon atoms or a halogen atom; A represents a linking group having 2 to 4 chain members; B represents a linking group having 2 to 5 chain members; and Q represents a carboxyl group, a lower alkoxy group, a hydroxyl group, an alkoxycarbonyl group having 2 to 6 carbon atoms or a 5-tetrazolyl group.

  本发明揭示了以下公式所代表的噻唑衍生物，其药学上可接受的盐以及含有其作为活性成分的白三烯拮抗剂：其中R.sub.1和R.sub.2分别独立表示氢原子、具有1至8个碳原子的烷基基团、较低的烷氧羰基基团或取代或未取代的苯基团，或者合作地表示对应于融合环己烷环的四亚甲基基团或未取代或取代有卤原子、较低烷氧基、较低烷氧羰基基团或具有1至3个碳原子的烷基基团的丁二亚乙烯基团；R.sub.3、R.sub.4、R.sub.5和R.sub.6分别独立表示氢原子、羟基、较低烷氧基、具有1至3个碳原子的烷基基团或卤原子；A表示具有2至4个链成员的连接基团；B表示具有2至5个链成员的连接基团；Q表示羧基、较低烷氧基、羟基、具有2至6个碳原子的烷氧羰基基团或5-四唑基团。
• Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients
  申请人：MITSUBISHI KASEI CORPORATION

  公开号：EP0219436A2

  公开（公告）日：1987-04-22

  Disclosed are a thiazole derivative represented by the following formula, a pharmaceutically acceptable salt thereof and leukotriene antagonist containing the same as the active ingredients: wherein R, and Rz each independently represent a hydrogen atom, an alkyl group having 1 to 8 carbon atoms, a lower alkoxycarbonyl group or a substituted or unsubstituted phenyl group or cooperatively represent a tetramethylene group corresponding to a fused cyclohexane ring or a butadienylene group which is unsubstituted or substituted with a halogen atom, a lower alkoxy group, a lower alkoxycarbonyl group or an alkyl group having 1 to 3 carbon atoms corresponding to a fused benzene ring; R3, R4, R5 and R6 each independently represent a hydrogen atom, a hydroxyl group, a lower alkoxy group, an alkyl group having 1 to 3 carbon atoms or a halogen atom; A represents a linking group having 2 to 4 chain members; B represents a linking group having 2 to 5 chain members; and Q represents a carboxyl group, a lower alkoxy group, a hydroxyl group, an alkoxycarbonyl group having 2 to 6 carbon atoms or a 5-tetrazolyl group.

  本发明公开了由下式代表的噻唑衍生物、其药学上可接受的盐和含有相同活性成分的白三烯拮抗剂： 其中 R 和 Rz 各自独立地代表氢原子、具有 1 至 8 个碳原子的烷基、低级烷氧基羰基或取代或未取代的苯基，或共同代表与融合环己烷环相对应的四亚甲基或未取代或被卤素原子取代的丁二烯基、低级烷氧基、低级烷氧基羰基或具有 1 至 3 个碳原子的与融合苯环相对应的烷基；R3、R4、R5 和 R6 各自独立地代表氢原子、羟基、低级烷氧基、具有 1 至 3 个碳原子的烷基或卤素原子；A 代表具有 2 至 4 个链成员的连接基团；B 代表具有 2 至 5 个链成员的连接基团；Q 代表羧基、低级烷氧基、羟基、具有 2 至 6 个碳原子的烷氧羰基或 5-四唑基。
• Drug efflux pump inhibitor
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：EP1652839A2

  公开（公告）日：2006-05-03

  A medicament for preventive and/or therapeutic treatment of a microbial infection having an activity of eliminating resistance of a microorganism with acquired resistance to an antimicrobial agent, which comprises as an active ingredient a compound represented by the following general formula (I), a physiologically acceptable salt thereof, or a hydrate thereof: wherein R1 and R2 independently represent hydrogen atom, a halogen atom, carboxyl group and the like; J1 represents a 5- or 6-membered heteroaromatic ring; W1 represents -CH=CH-, -C≡C-, -CH2CH2- and the like; A1 represents phenylene group, pyridinediyl group, furandiyl group and the like; G1 represents oxygen atom, carbonyl group, ethynyl group and the like; p represents an integer of from 0 to 3; G2 represents phenylene group, furandiyl group, tetrahydrofurandiyl group and the like; G3 represents -CH2- or single bond; m and n represent an integer of 0 or 1; and Q1 represents an acidic group.

  一种用于预防和/或治疗微生物感染的药物，具有消除对抗菌剂产生抗药性的微生物的抗药性的活性，其活性成分包括下式（I）所代表的化合物、其生理上可接受的盐或其水合物： 其中 R1 和 R2 分别代表氢原子、卤素原子、羧基等；J1 代表 5 或 6 元杂芳环；W1 代表 -CH=CH-、-C≡C-、-CH2CH2- 等；A1 代表亚苯基、吡啶二基、呋喃二基等；G1 代表氧原子、羰基、乙炔基等；p 代表 0 至 3 的整数；G2 代表亚苯基、呋喃二基、四氢呋喃二基等；G3 代表 -CH2- 或单键；m 和 n 代表 0 或 1 的整数；以及 Q1 代表酸性基团。
• DRUG DISCHARGE PUMP INHIBITORS
  申请人：Trine Pharmaceuticals, Inc.

  公开号：EP1227084B1

  公开（公告）日：2005-12-14
• XAYASI, JOSIO;OGURI, TOAKI;KOYA, RIKIDZO;YAMADA, NOBORU
  作者：XAYASI, JOSIO、OGURI, TOAKI、KOYA, RIKIDZO、YAMADA, NOBORU

  DOI：——

  日期：——