7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-8-methyl-1,4-dihydro-4-oxoquinoline-3-carboxylic acid

• 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: 7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-8-methyl-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
• 英文别名: 7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-1,4-dihydro-8-methyl-4-oxo-3-quinolinecarboxylic acid；1-Cyclopropyl-7-(3-amino-1-pyrrolidinyl)-6-fluoro-8-methyl-1,4-dihydro-4-oxoquinoline-3-carboxylic acid；7-(3-aminopyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-8-methyl-4-oxoquinoline-3-carboxylic acid
• 化学式: C₁₈H₂₀FN₃O₃
• 分子量: 345.374
• InChiKey: KKSPDZLVCALKIJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  86.9
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-8-methyl-1,4-dihydro-4-oxoquinoline-3-carboxylic acid 生成 1-cyclopropyl-7-(3-methylamino-1-pyrrolidinyl)-6-fluoro-8-methyl-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
  参考文献：
  名称：

  UEDA, HIRAKI;MIYAMOTO, HISASHI;AKI, SHINIT;OTSUKA, TATSUYA

  摘要：

  DOI：
• 作为产物：
  描述：

  1-Cyclopropyl-6,7-difluoro-1,4-dihydro-8-methyl-4-oxo-3-quinolinecarboxylic acid 生成 7-(3-amino-1-pyrrolidinyl)-1-cyclopropyl-6-fluoro-8-methyl-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
  参考文献：
  名称：

  UEDA, HIRAKI;MIYAMOTO, HISASHI;AKI, SHINIT;OTSUKA, TATSUYA

  摘要：

  DOI：

文献信息

• 1-cyclopropyl-6-fluoro-8-alkyl-1,4-dihydro-4-oxo-quinoline-3-carboxylic
  申请人：Otsuka Pharmaceutical Company, Limited

  公开号：US04855292A1

  公开（公告）日：1989-08-08

  Novel 4-oxoquinoline-3-carboxylic acid compounds of the formula: ##STR1## wherein R.sup.2 is 1-pyrrolidinyl which may have 1 to 2 substituents selected from the group consisting of (i) C.sub.1 -C.sub.6 alkyl, (ii) amino-(C.sub.1 -C.sub.6)alkyl, said amino being optionally substituted by 1 or 2 substituents selected from C.sub.1 -C.sub.6 alkyl, C.sub.1 -C.sub.6 alkanoyl, and C.sub.1 -C.sub.6 alkoxycarbonyl, (iii) amino which may be substituted by 1 or 2 substituents selected from C.sub.1 -C.sub.6 alkyl, phenyl(C.sub.1 -C.sub.6)alkyl, C.sub.1 -C.sub.6 alkoxycarbonyl, and C.sub.1 -C.sub.6 alkanoyl, and (iv) 2-oxo-1,3-dioxolenemethylamino which is substituted by C.sub.1 -C.sub.6 alkyl; or 1-piperidinyl which may have 1 to 3 substituents selected from oxo, hydroxy, halogen and C.sub.1 -C.sub.6 alkyl, and R.sup.3 is C.sub.1 -C.sub.6 alkyl, or a pharmaceutically acceptable salt thereof, said compounds having excellent antimicrobial activity and hence being useful as an antimicrobial agent, and a pharmaceutical composition containing said compound as an active ingredient.

  4-氧喹啉-3-羧酸化合物的结构式：其中R.sup.2为1-吡咯烷基，可以有1到2个取代基，所选自以下组合：(i) C.sub.1-C.sub.6烷基，(ii) 氨基-(C.sub.1-C.sub.6)烷基，该氨基可以选为1或2个取代基，所选自C.sub.1-C.sub.6烷基，C.sub.1-C.sub.6烷酰基和C.sub.1-C.sub.6氧代羰基，(iii) 氨基，可以被1或2个取代基所取代，所选自C.sub.1-C.sub.6烷基，苯基(C.sub.1-C.sub.6)烷基，C.sub.1-C.sub.6氧代羰基和C.sub.1-C.sub.6烷酰基，以及(iv) 2-氧代-1,3-二氧杂环戊烯基氨基，该氨基被C.sub.1-C.sub.6烷基取代；或1-哌啶基，可以有1到3个取代基，所选自氧代、羟基、卤素和C.sub.1-C.sub.6烷基，R.sup.3为C.sub.1-C.sub.6烷基，或其药学上可接受的盐，这些化合物具有出色的抗微生物活性，因此可用作抗微生物药物，并且含有该化合物作为活性成分的药物组合物。
• Quinolonecarboxylic acid derivatives and their preparation
  申请人：Kyorin Pharmaceutical Co., Ltd.

  公开号：US04894458A1

  公开（公告）日：1990-01-16

  Quinolonecarboxylic acid derivatives of the following formula, ##STR1## wherein R indicates straight or branched lower alkyl, R.sup.1 indicates cycloalkyl having 3 to 6 carbon atoms, straight or branched lower alkyl, halogenoalkyl, alkenyl, hydroxyalkyl, lower alkylamino or substituted or non-substituted phenyl, R.sup.2 indicates hydrogen, halogen, nitro or amino, X indicates halogen, Z indicates halogen, azetidino, pyrrolidino, piperidino, morpholino, thiomorpholino, piperazino or homopiperazino of the following formula, ##STR2## (here, n is 1 or 2, R.sup.3 indicates hydrogen, lower alkyl, lower acyl, acyloxycarbonyl or benzyl, R.sup.4 and R.sup.5 indicate hydrogen, lower alkyl, aminoalkyl, hydroxyalkyl or phenyl each independently), or pyrrolidino or piperidino of the following formula, ##STR3## (here, k is 0, 1 or 2, l is 0, 1 or 2, m is 0 or 1, R.sup.6 indicates hydrogen, lower alkyl or hydroxy, R.sup.7 indicates hydrogen, lower alkyl, halogenoalkyl or hydroxyalkyl, R.sup.8 indicates hydrogen, lower alkyl, lower acyl, alkoxycarbonyl or benzyl), the hydrates and pharmaceutically acceptable acid addition or alkali salts thereof are useful as antibacterial agents.

  以下公式的喹诺酮羧酸衍生物，其中R表示直链或支链低碳链烷基，R.sup.1表示具有3至6个碳原子的环烷基，直链或支链低碳链烷基，卤代烷基，烯基，羟基烷基，低碳链胺基或取代或未取代的苯基，R.sup.2表示氢，卤素，硝基或氨基，X表示卤素，Z表示卤素，氮杂环丙氧基，吡咯啉基，哌啶基，吗啉基，硫代吗啉基，哌嗪基或同源哌嗪基，其具有以下公式，(这里，n为1或2，R.sup.3表示氢，低碳链烷基，低酰基，酰氧羟基羰基或苄基，R.sup.4和R.sup.5分别表示氢，低碳链烷基，氨基烷基，羟基烷基或苯基)，或具有以下公式的吡咯啉基或哌啶基，(这里，k为0、1或2，l为0、1或2，m为0或1，R.sup.6表示氢，低碳链烷基或羟基，R.sup.7表示氢，低碳链烷基，卤代烷基或羟基烷基，R.sup.8表示氢，低碳链烷基，低酰基，烷氧羧基或苄基)，其水合物和药学上可接受的酸盐或碱盐可用作抗菌剂。
• MASUZAWA, KUNIYOSHI;SUZUE, SEIGO;HIRAI, KEIJI;ISHIZAKI, TAKAYOSHI
  作者：MASUZAWA, KUNIYOSHI、SUZUE, SEIGO、HIRAI, KEIJI、ISHIZAKI, TAKAYOSHI

  DOI：——

  日期：——
• UEDA, HIRAKI;MIYAMOTO, HISASHI;AKI, SHINIT;OTSUKA, TATSUYA
  作者：UEDA, HIRAKI、MIYAMOTO, HISASHI、AKI, SHINIT、OTSUKA, TATSUYA

  DOI：——

  日期：——
• MASUDZAVA, KUNIYASU;SUDZUEH, SEHJGO;XIRAI, KEHDZI;ISIDZAKI, TAKAESI
  作者：MASUDZAVA, KUNIYASU、SUDZUEH, SEHJGO、XIRAI, KEHDZI、ISIDZAKI, TAKAESI

  DOI：——

  日期：——