(R)-7-[3-(1-amino-1-methylethyl)pyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-8-methoxy-9H-isothiazolo[5,4-b]quinoline-3,4-dione | 922491-46-1

• 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: (R)-7-[3-(1-amino-1-methylethyl)pyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-8-methoxy-9H-isothiazolo[5,4-b]quinoline-3,4-dione
• 英文别名: ACH-702；(R)-7-(3-(2-aminopropan-2-yl)pyrrolidin-1-yl)-9-cyclopropyl-6-fluoro-8-methoxyisothiazolo[5,4-b]quinoline-3,4(2H,9H)-dione；Isothiazolo(5,4-b)quinoline-3,4(2H,9H)-dione, 7-((3R)-3-(1-amino-1-methylethyl)-1-pyrrolidinyl)-9-cyclopropyl-6-fluoro-8-methoxy-；7-[(3R)-3-(2-aminopropan-2-yl)pyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-8-methoxy-[1,2]thiazolo[5,4-b]quinoline-3,4-dione
• CAS: 922491-46-1
• 化学式: C₂₁H₂₅FN₄O₃S
• 分子量: 432.519
• InChiKey: CECJUHKZSOSOJJ-SNVBAGLBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  113
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  (R)-7-[3-(1-amino-1-methyl-ethyl)-pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-2-mercapto-8-methoxy-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester 在 potassium carbonate 、 hydroxylamine-O-sulfonic acid 、 盐酸 、 水 作用下， 以 水 为溶剂， 反应 16.0h， 生成 (R)-7-[3-(1-amino-1-methylethyl)pyrrolidin-1-yl]-9-cyclopropyl-6-fluoro-8-methoxy-9H-isothiazolo[5,4-b]quinoline-3,4-dione
  参考文献：
  名称：

  WO2008/21491

  摘要：

  公开号：

文献信息

• METHOD FOR SYNTHESIS OF 8-ALKOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES
  申请人：Bradbury James Barton

  公开号：US20080071086A1

  公开（公告）日：2008-03-20

  The present invention provides process for synthesis of 8-methoxy-9H-isothiazolo[5,4-b]quinoline-3,4-diones and 8A,9-dihydro-4aH-isothiazolo[5,4-b]quinoline-3,4-diones of the Formula A. The substituents R, R 5 , R 6 , R 7 , R 8 and R 9 are defined herein. The invention also provides novel synthetic intermediates useful in the synthesis of 8-methoxy-9H-isothiazolo[5,4-b]quinoline-3,4-diones and 8A,9-dihydro-4aH-isothiazolo[5,4-b]quinoline-3,4-diones.

  本发明提供了一种合成式A中的8-甲氧基-9H-异噻唑并[5,4-b]喹啉-3,4-二酮和8A,9-二氢-4aH-异噻唑并[5,4-b]喹啉-3,4-二酮的过程。其中，取代基R、R5、R6、R7、R8和R9在此定义。本发明还提供了一种新的合成中间体，用于合成8-甲氧基-9H-异噻唑并[5,4-b]喹啉-3,4-二酮和8A,9-二氢-4aH-异噻唑并[5,4-b]喹啉-3,4-二酮。
• 8-methoxy-9H-isothiazolo[5,4-b]quinoline-3,4-diones and related compounds as anti-infective agents
  申请人：Bradbury James Barton

  公开号：US20070049586A1

  公开（公告）日：2007-03-01

  The invention provides compound and salts of Formula I and II, disclosed herein, which includes compounds of Formula A and Formula B: Such compounds possess useful antimicrobial activity. The variables R 2 , R 3 , R 5 , R 6 , R 7 , and R 9 shown in Formula A and B are defined herein. Certain compounds of Formula I and Formula II disclosed herein are potent and/or selective inhibitors of bacterial DNA synthesis and bacterial replication. The invention also provides antimicrobial compositions, including pharmaceutical compositions, containing one or more compounds of Formula I or Formula II and one or more carriers, excipients, or diluents. Such compositions may contain a compound of Formula I or Formula II as the only active agent or may contain a combination of a compound of Formula I or Formula II and one or more other active agents. The invention also provides methods for treating microbial infections in animals.

  本发明提供了公式I和II的化合物和盐，其中包括公式A和公式B的化合物：这些化合物具有有用的抗微生物活性。公式A和B中显示的变量R2、R3、R5、R6、R7和R9在此定义。本文所披露的公式I和公式II的某些化合物是强效和/或选择性的细菌DNA合成和细菌复制抑制剂。本发明还提供了抗微生物组合物，包括含有公式I或公式II中一个或多个化合物和一个或多个载体、赋形剂或稀释剂的制药组合物。这些组合物可以仅包含公式I或公式II中的一个化合物作为唯一活性剂，也可以包含公式I或公式II中的一个化合物和一个或多个其他活性剂的组合物。本发明还提供了治疗动物微生物感染的方法。
• 8-METHOXY-9H-ISOTHIAZOLO[5,4-B]QUINOLINE-3,4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS
  申请人：Bradbury Barton James

  公开号：US20120040959A1

  公开（公告）日：2012-02-16

  The invention provides compound and salts of Formula I and II, disclosed herein, which includes compounds of Formula A and Formula B: Such compounds possess useful antimicrobial activity. The variables R 2 , R 3 , R 5 , R 6 , R 7 , and R 9 shown in Formula A and B are defined herein. Certain compounds of Formula I and Formula II disclosed herein are potent and/or selective inhibitors of bacterial DNA synthesis and bacterial replication. The invention also provides antimicrobial compositions, including pharmaceutical compositions, containing one or more compounds of Formula I or Formula II and one or more carriers, excipients, or diluents. Such compositions may contain a compound of Formula I or Formula II as the only active agent or may contain a combination of a compound of Formula I or Formula II and one or more other active agents. The invention also provides methods for treating microbial infections in animals.

  本发明提供了公式I和II的化合物和盐，其中包括公式A和公式B的化合物：这些化合物具有有用的抗微生物活性。 公式A和B中显示的变量R2、R3、R5、R6、R7和R9在此定义。 本文所披露的某些公式I和公式II的化合物是细菌DNA合成和细菌复制的有效和/或选择性抑制剂。 本发明还提供了抗微生物组合物，包括含有一个或多个公式I或公式II化合物的制药组合物和一个或多个载体、赋形剂或稀释剂。 这样的组合物可以仅包含公式I或公式II的化合物作为唯一活性剂，也可以包含公式I或公式II的化合物和一个或多个其他活性剂的组合物。 本发明还提供了治疗动物微生物感染的方法。
• COMBINATION THERAPY TO TREAT MYCOBACTERIUM DISEASES
  申请人：Locher Christopher Phillip

  公开号：US20140045791A1

  公开（公告）日：2014-02-13

  The present invention relates to a compound of formula (I) or a pharmaceutically acceptable salt thereof wherein X and R are as defined herein. The compounds of formula (I) are useful as gyrase and/or topoisomerase IV inhibitors for treating bacterial infections. The compounds of formula (I) either possess a broad range of anti-bacterial activity and advantageous toxicological properties or are prodrugs of compounds having said activity.

  本发明涉及式(I)化合物或其药学上可接受的盐，其中X和R的定义如本文所述。式(I)化合物可用作抑制DNA旋转酶和/或拓扑异构酶IV的抑制剂，用于治疗细菌感染。式(I)化合物具有广泛的抗菌活性和优越的毒理学特性，或者是具有该活性的前药。
• US7902365B2
  申请人：——

  公开号：US7902365B2

  公开（公告）日：2011-03-08