6-(1-oxo-2-bromobutyl)-3,4-dihydro-carbostyril | 62618-76-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 6-(1-oxo-2-bromobutyl)-3,4-dihydro-carbostyril
• 英文别名: 6-(2-bromobutyryl)-3,4-dihydrocarbostyril；6-(α-bromobutanoyl)-3,4-dihydrocarbostyril；6-(2-Bromobutanoyl)-3,4-dihydroquinolin-2(1H)-one；6-(2-bromobutanoyl)-3,4-dihydro-1H-quinolin-2-one
• CAS: 62618-76-2
• 化学式: C₁₃H₁₄BrNO₂
• 分子量: 296.164
• InChiKey: JSZANYIMLYEQBG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6-(1-oxo-2-bromobutyl)-3,4-dihydro-carbostyril 、 脒基硫脲 以 sodium hydroxide 、 乙醇 为溶剂， 生成 6-(2'-Guanidino-5'-Ethylthiazol-4'-Yl)-3,4-Dihydrocarbostyril
  参考文献：
  名称：

  6-(4-thiazole) compounds, cardiotonic compositions including the same,

  摘要：

  心力增强剂融合芳香双环取代噻唑化合物及其盐，通过使用该化合物增加人类和其他哺乳动物心脏收缩力的方法，包括该化合物的药物组合物和化合物制备方法。

  公开号：

  US04721721A1
• 作为产物：
  描述：

  3,4-二氢-2(1H)-喹啉酮 、 2-溴丁酰氯 在 三氯化铝 作用下， 以 二氯甲烷 为溶剂， 生成 6-(1-oxo-2-bromobutyl)-3,4-dihydro-carbostyril
  参考文献：
  名称：

  6-(4-thiazole) compounds, cardiotonic compositions including the same,

  摘要：

  心力增强剂融合芳香双环取代噻唑化合物及其盐，通过使用该化合物增加人类和其他哺乳动物心脏收缩力的方法，包括该化合物的药物组合物和化合物制备方法。

  公开号：

  US04721721A1

文献信息

• Piperidine derivatives
  申请人：Takai Shunji Haruki

  公开号：US20070185168A1

  公开（公告）日：2007-08-09

  For example, a piperidine derivative represented by following formula (I) (wherein, —C(═O)-Z- represents —C(═O)—CH 2 —, —C(═O)—C(CH 3 ) 2 —, —C(═O)—NH—, —C(═O)—O—, —C(═O)—S—, —C(═O)—CH 2 CH 2 —, —C(═O)—CH═CH—, —C(═O)—CH 2 O—, —C(═O)—CH 2 S—, —C(═O)—CH 2 CH 2 CH 2 — or —C(═O)—NR 8 CH 2 —; R 1 represents a hydrogen atom, substituted or unsubstituted lower alkyl, or the like; R 2 represents a hydrogen atom or hydroxy; R 3 represents a hydrogen atom, substituted or unsubstituted lower alkyl, or the like; R 5 represents a hydrogen atom, hydroxy, or the like; R 6 represents a hydrogen atom, hydroxy, substituted or unsubstituted lower alkyl, or the like, etc.; R 7 represents a hydrogen atom, halogen, substituted or unsubstituted lower alkyl, or the like; n and k each independently represents an integer of 0 to 2; and ---- represents a single bond, or a double bond together with R 4 , where in case ---- is a single bond, R 4 represents a hydrogen atom, hydroxy, or the like) or a pharmaceutically acceptable salt thereof and the like having an antagonistic activity for a glutamic acid receptor (NR2B/NMDA receptor) of an N-methyl-D-aspartic acid (NMDA) type containing an NR2B subunit are provided.

  例如，提供了一种由以下式（I）表示的哌啶衍生物（其中，—C（═O）-Z-表示—C（═O）—CH2—，—C（═O）—C（CH3）2—，—C（═O）—NH—，—C（═O）—O—，—C（═O）—S—，—C（═O）—CH2CH2—，—C（═O）—CH═CH—，—C（═O）—CH2O—，—C（═O）—CH2S—，—C（═O）—CH2CH2CH2—或—C（═O）—NR8CH2—; R1表示氢原子，取代或未取代的低碳基等; R2表示氢原子或羟基; R3表示氢原子，取代或未取代的低碳基等; R5表示氢原子，羟基或类似物; R6表示氢原子，羟基，取代或未取代的低碳基等等; R7表示氢原子，卤素，取代或未取代的低碳基等; n和k各自独立地表示0至2的整数; 以及----表示单键，或与R4一起表示双键，其中在----是单键的情况下，R4表示氢原子，羟基或类似物）或其药学上可接受的盐等，具有对N-甲基-D-天门冬氨酸（NMDA）型含有NR2B亚单位的谷氨酸受体（NR2B / NMDA受体）的拮抗活性。
• Carbostyril derivatives, process for preparing them, pharmaceutical composition, and use
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP0240015A2

  公开（公告）日：1987-10-07

  Carbostyril derivatives and salts thereof represented by the general formula (1), including some known compounds, possess activities for inhibiting adhesion of thrombocytes. Some carbostyril derivatives having chemical structural formulas similar to those of carbostyril derivatives and salts thereof represented by the general formula (1) have been known in the prior art references, however above-mentioned pharmacological activities have not been known yet up to the date. Processes for preparing carbostyril derivatives offormu- la (1), a pharmaceutical composition containing them, or a salt thereof, as active ingredient, and their use in the preparation of a medicament for inhibiting adhesion of thrombocytes are also disclosed.

  通式(1)代表的羧基吡啶衍生物及其盐类，包括一些已知化合物，具有抑制血小板粘附的活性。 一些羧基吡啶衍生物的化学结构式与通式(1)代表的羧基吡啶衍生物及其盐类相似，在现有技术参考文献中已为人所知，但上述药理活性至今尚未为人所知。 本发明还公开了制备通式(1)代表的羧基吡啶衍生物、含有它们或其盐类作为活性成分的药物组合物的工艺，以及它们在制备抑制血小板粘附的药物中的用途。
• PIPERIDINE DERIVATIVE
  申请人：KYOWA HAKKO KOGYO CO., LTD.

  公开号：EP1736474A1

  公开（公告）日：2006-12-27

  For example, a piperidine derivative represented by following formula (I) (wherein, -C(=O)-Z- represents -C(=O)-CH2-, -C(=O)-C(CH3)2-, -C(=O)-NH-, -C(=O)-O-, -C(=O)-S-, - C(=O)-CH2CH2-, -C(=O)-CH=CH-, -C(=O)-CH2O-, -C(=O)-CH2S-, - C(=O)-CH2CH2CH2- or -C(=O)-NR8CH2-; R1 represents a hydrogen atom, substituted or unsubstituted lower alkyl, or the like; R2 represents a hydrogen atom or hydroxy; R3 represents a hydrogen atom, substituted or unsubstituted lower alkyl, or the like; R5 represents a hydrogen atom, hydroxy, or the like; R6 represents a hydrogen atom, hydroxy, substituted or unsubstituted lower alkyl, or the like, etc.; R7 represents a hydrogen atom, halogen, substituted or unsubstituted lower alkyl, or the like; n and k each independently represents an integer of 0 to 2; and represents a single bond, or a double bond together with R4, where in case is a single bond, R4 represents a hydrogen atom, hydroxy, or the like) or a pharmaceutically acceptable salt thereof and the like having an antagonistic activity for a glutamic acid receptor (NR2B/NMDA receptor) of an N-methyl-D-aspartic acid (NMDA) type containing an NR2B subunit are provided.

  -C(=O)-NH-、-C(=O)-O-、-C(=O)-S-、-C(=O)-CH2CH2-、-C(=O)-CH=CH-、-C(=O)-CH2O-、-C(=O)-CH2S-、-C(=O)-CH2CH2CH2-或-C(=O)-NR8CH2-；R1 代表氢原子、取代或未取代的低级烷基或类似物；R2 代表氢原子或羟基； R3 代表氢原子、取代或未取代的低级烷基或类似物； R5 代表氢原子、羟基或类似物； R6 代表氢原子、羟基、取代或未取代的低级烷基或类似物，等等。R7 代表氢原子、卤素、取代或未取代的低级烷基或类似物； n 和 k 各自独立地代表 0 至 2 的整数；本发明提供了对含有 NR2B 亚基的 N-甲基-D-天冬氨酸（NMDA）型谷氨酸受体（NR2B/NMDA 受体）具有拮抗活性的谷氨酸受体（NR2B/NMDA 受体）或其药学上可接受的盐等。
• EP0207140A4
  申请人：——

  公开号：EP0207140A4

  公开（公告）日：1987-06-15
• BICYCLIC HETEROARYL THIAZOLE COMPOUNDS, CARDIOTONIC COMPOSITIONS INCLUDING THE SAME, AND THEIR USES
  申请人：RORER INTERNATIONAL (OVERSEAS) INC. (a Delaware corporation)

  公开号：EP0207140A1

  公开（公告）日：1987-01-07