6-{3-[N-(2-benzoyloxyethyl)-N-cyclohexylaminocarbonyl]propoxy}carbostyril | 78346-20-0

• 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-{3-[N-(2-benzoyloxyethyl)-N-cyclohexylaminocarbonyl]propoxy}carbostyril
• 英文别名: 2-[cyclohexyl-[4-[(2-oxo-1H-quinolin-6-yl)oxy]butanoyl]amino]ethyl benzoate
• CAS: 78346-20-0
• 化学式: C₂₈H₃₂N₂O₅
• 分子量: 476.572
• InChiKey: WMSVOAJMCANCGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  35
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  84.9
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-[(2-氧代-1H-喹啉-6-基)氧基]丁酸 、 benzoic acid-(2-cyclohexylamino-ethyl ester) 生成 6-{3-[N-(2-benzoyloxyethyl)-N-cyclohexylaminocarbonyl]propoxy}carbostyril
  参考文献：
  名称：

  NISI, TAKAO;TANAKA, TATSUGI;NAKAGAVA, KADZUYUKI

  摘要：

  DOI：

文献信息

• Carbostyril derivatives
  申请人：Otsuka Pharmaceutical Co., Ltd.

  公开号：US04435404A1

  公开（公告）日：1984-03-06

  Novel carbostyril derivative and its salt represented by the general formula (1), ##STR1## wherein R.sup.1 is a hydrogen atom, a lower alkyl group, a lower alkenyl group or a phenyl-lower alkyl group; R.sup.2 is a hydrogen atom, a lower alkyl group or a group of the formula ##STR2## wherein A is a lower alkylene group; R.sup.3 is a lower alkyl group, a hydroxy lower alkyl group, a lower alkoxy-lower alkyl group, a lower alkanoyloxy-lower alkyl group or a benzoyloxy-lower alkyl group; and R.sup.4 is a C.sub.3-10 -cycloalkyl group which may have at least one hydroxyl group as the substituent(s) in the cycloalkyl ring, a C.sub.3-10 -cycloalkyl-lower alkyl group, a phenyl group, a phenyl-lower alkyl group which may have at least one lower alkoxy group as the substituent(s) in the phenyl ring, a lower alkyl group which may have at least one hydroxyl group as the substituent(s), a heterocyclic ring residue or a lower alkyl group having one heterocyclic ring residue as the substituent; further, R.sup.3, R.sup.4 and the adjacent nitrogen atom, as well as with or without another nitrogen atom, may form a group of the formula ##STR3## (wherein R.sup.5 is a phenyl group, a C.sub.3-10 -cycloalkyl group or a phenyl-lower alkyl group; and B is a methine group or a nitrogen atom); the carbon-carbon bond between the 3- and 4-positions in the carbostyril skeleton is a single or double bond; the substituted position of the group of the formula ##STR4## is any one of 5-, 6-, 7- or 8-position in the carbostyril skeleton; when the group of the formula ##STR5## is substituted at 5-, 6-, 7- or 8-position in the carbostyril skeleton, then R.sup.2 is a hydrogen atom or a lower alkyl group; alternatively, when R.sup.2 is a group of the formula ##STR6## then 5-, 6-, 7- and 8-positions in the carbostyril skeleton are hydrogen atoms and are not substituted with groups of the formula ##STR7## and when R.sup.3 is a lower alkyl group, then R.sup.4 should be neither of a C.sub.3-10 -cycloalkyl group, a C.sub.3-10 -cycloalkyl-lower alkyl group nor a lower alkyl group, having effects for preventing and treating thrombosis and embolism.

  新型的卡波司吡衍生物及其盐，其通式为(1)，其中R1为氢原子、低碳基、低烯基或苯基-低碳基；R2为氢原子、低碳基或公式A的基团：##STR2## 其中A为低碳亚烷基基团；R3为低碳基、羟基-低碳基、低烷氧基-低碳基、低脂肪酸酯基-低碳基或苯甲酰氧-低碳基；R4为C3-10环烷基，该环烷基上可能具有至少一个羟基作为取代基，或C3-10环烷基-低碳基、苯基、苯基-低碳基，该苯基上可能具有至少一个低碳氧基作为取代基，或低碳基，该低碳基上可能具有至少一个羟基作为取代基，或杂环环残基或低碳基，该低碳基上具有一个杂环环残基作为取代基；此外，R3、R4和相邻的氮原子，以及有或没有另一个氮原子，可以形成公式的基团：##STR3## 其中R5为苯基、C3-10环烷基或苯基-低碳基；B为甲基基团或氮原子；在卡波司吡骨架中，3-和4-位置之间的碳-碳键是单键或双键；公式的基团的取代位置为卡波司吡骨架中的5-、6-、7-或8-位置之一；当公式的基团在卡波司吡骨架的5-、6-、7-或8-位置上取代时，R2为氢原子或低碳基；或者当R2为公式的基团时，卡波司吡骨架的5-、6-、7-和8-位置均为氢原子，并且没有公式的基团取代；当R3为低碳基时，R4不应是C3-10环烷基、C3-10环烷基-低碳基或低碳基，具有预防和治疗血栓和栓塞的作用。
• US4435404A
  申请人：——

  公开号：US4435404A

  公开（公告）日：1984-03-06