6-Fluoro-7-chloro-9-cyclopropyl-2,3,4,9-tetrahydroisothiazolo<5,4-b><1,8>naphthyridine-3,4-dione | 130878-54-5

• 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-Fluoro-7-chloro-9-cyclopropyl-2,3,4,9-tetrahydroisothiazolo<5,4-b><1,8>naphthyridine-3,4-dione
• 英文别名: 7-chloro-9-cyclopropyl-6-fluoro-9H-1-thia-2,8,9-triazacyclopenta[5]naphthalene-3,4-dione；7-chloro-9-cyclopropyl-6-fluoro-isothiazolo[5,4-b][1,8]naphthyridine-3,4(2H,9H)-dione；7-chloro-9-cyclopropyl-6-fluoro-[1,2]thiazolo[5,4-b][1,8]naphthyridine-3,4-dione
• CAS: 130878-54-5
• 化学式: C₁₂H₇ClFN₃O₂S
• 分子量: 311.724
• InChiKey: PJDBVEVINGIWMQ-UHFFFAOYSA-N

物化性质

• 密度：
  1.80±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  87.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  哌嗪 、 6-Fluoro-7-chloro-9-cyclopropyl-2,3,4,9-tetrahydroisothiazolo<5,4-b><1,8>naphthyridine-3,4-dione 以 various solvent(s) 为溶剂， 反应 4.0h， 以94%的产率得到6-Fluoro-7-piperazin-1-yl-9-cyclopropyl-2,3,4,9-tetrahydroisothiazolo<5,4-b><1,8>naphthyridine-3,4-dione hydrochloride
  参考文献：
  名称：

  Chu; Claiborne, Journal of Heterocyclic Chemistry, 1990, vol. 27, # 5, p. 1191 - 1195

  摘要：

  DOI：
• 作为产物：
  描述：

  Ethyl 1-cyclopropyl-2-phenylthio-6-fluoro-7-chloro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylate 在 sodium hydrogensulfide 、 碳酸氢钠 、 间氯过氧苯甲酸 、 hydroxylamine-O-sulfonic acid 作用下， 以 二氯甲烷 为溶剂， 反应 23.0h， 生成 6-Fluoro-7-chloro-9-cyclopropyl-2,3,4,9-tetrahydroisothiazolo<5,4-b><1,8>naphthyridine-3,4-dione
  参考文献：
  名称：

  Chu; Claiborne, Journal of Heterocyclic Chemistry, 1990, vol. 27, # 5, p. 1191 - 1195

  摘要：

  DOI：

文献信息

• [EN] 2-OXO-OXAZOLIDIN-3,5-DIYL ANTIBIOTIC DERIVATIVES<br/>[FR] DÉRIVÉS ANTIBIOTIQUES DE 2-OXO-OXAZOLIDIN-3,5-DIYLE
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2013068948A1

  公开（公告）日：2013-05-16

  The invention relates to antibacterial compounds of formula I (Fornula I) (I) wherein R1a represents H or carboxy and R1b represents H, or R1a and R1b represent together either the group *-C(0)-NH-S-# or the group *-C(OH)=N-S-# wherein "*" represents the point of attachment of R1a and "#" represents the point of attachment of R1b; R2 represents H, (C1-C3)alkyl, hydroxy-(C1C3)alkyl, benzyl or (C3-C5)cycloalkyl; R3 represents H or halogen; U represents N or CR4; wherein R4 is H or (C1-C3)alkoxy; A represents CH, B represents NH and m represents 1 or 2 and n represents 1 or 2; or A represents N, B is absent, m represents 2 and n represents 2; Y represents CH or N; and Q represents O or S; and salts of such compounds.

  该发明涉及具有以下结构的抗菌化合物（结构式 I）（I）其中 R1a 代表 H 或 羧基，R1b 代表 H，或者 R1a 和 R1b 一起代表 *-C(0)-NH-S-# 或 *-C(OH)=N-S-# 这两个基团，其中 "*" 代表 R1a 的连接点，"#" 代表 R1b 的连接点；R2 代表 H，(C1-C3)烷基，羟基-(C1-C3)烷基，苄基或 (C3-C5)环烷基；R3 代表 H 或 卤素；U 代表 N 或 CR4；其中 R4 为 H 或 (C1-C3)烷氧基；A 代表 CH，B 代表 NH，m 代表 1 或 2，n 代表 1 或 2；或者 A 代表 N，B 不存在，m 代表 2，n 代表 2；Y 代表 CH 或 N；Q 代表 O 或 S；以及这些化合物的盐。
• 2-OXO-OXAZOLIDIN-3,5-DIYL ANTIBIOTIC DERIVATIVES
  申请人：Actelion Pharmaceuticals Ltd.

  公开号：US20150051188A1

  公开（公告）日：2015-02-19

  The invention relates to antibacterial compounds of formula I wherein R 1a represents H or carboxy and R 1b represents H, or R 1a and R 1b represent together either the group *—C(O)—NH—S— # or the group *—C(OH)═N—S— # wherein “*” represents the point of attachment of R 1a and “ # ” represents the point of attachment of R 1b ; R 2 represents H, (C 1 -C 3 )alkyl, hydroxy-(C 1 -C 3 )alkyl, benzyl or (C 3 -C 5 )cycloalkyl; R 3 represents H or halogen; U represents N or CR 4 ; wherein R 4 is H or (C 1 -C 3 )alkoxy; A represents CH, B represents NH and m represents 1 or 2 and n represents 1 or 2; or A represents N, B is absent, m represents 2 and n represents 2; Y represents CH or N; and Q represents O or S; and salts of such compounds.

  该发明涉及化学式I的抗菌化合物，其中R1a代表H或羧基，R1b代表H，或者R1a和R1b共同代表*—C(O)—NH—S—#或*—C(OH)═N—S—#这两种基团，其中“*”表示R1a的连接点，“#”表示R1b的连接点；R2代表H，(C1-C3)烷基，羟基-(C1-C3)烷基，苄基或(C3-C5)环烷基；R3代表H或卤素；U代表N或CR4；其中R4是H或(C1-C3)烷氧基；A代表CH，B代表NH，m代表1或2，n代表1或2；或者A代表N，B不存在，m代表2，n代表2；Y代表CH或N；Q代表O或S；以及这些化合物的盐。
• 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。
• 2-oxo-oxazolidin-3,5-diyl antibiotic derivatives
  申请人：Actelion Pharmaceuticals Ltd.

  公开号：US09079922B2

  公开（公告）日：2015-07-14

  The invention relates to antibacterial compounds of formula I wherein R1a represents H or carboxy and R1b represents H, or R1a and R1b represent together either the group *—C(O)—NH—S—# or the group *—C(OH)═N—S—# wherein “*” represents the point of attachment of R1a and “#” represents the point of attachment of R1b; R2 represents H, (C1-C3)alkyl, hydroxy-(C1-C3)alkyl, benzyl or (C3-C5)cycloalkyl; R3 represents H or halogen; U represents N or CR4; wherein R4 is H or (C1-C3)alkoxy; A represents CH, B represents NH and m represents 1 or 2 and n represents 1 or 2; or A represents N, B is absent, m represents 2 and n represents 2; Y represents CH or N; and Q represents O or S; and salts of such compounds.

  本发明涉及式I的抗菌化合物，其中R1a代表H或羧基，R1b代表H，或者R1a和R1b共同表示*—C(O)—NH—S—#或*—C(OH)═N—S—#，其中“*”代表R1a的连接点，“#”代表R1b的连接点；R2代表H，(C1-C3)烷基，羟基-(C1-C3)烷基，苄基或(C3-C5)环烷基；R3代表H或卤素；U代表N或CR4；其中R4代表H或(C1-C3)烷氧基；A代表CH，B代表NH，m代表1或2，n代表1或2；或者A代表N，B不存在，m代表2，n代表2；Y代表CH或N；Q代表O或S；以及这些化合物的盐。