7-chloro-3-oxo-3,4-dihydro-2H-benzo[1,4]thiazine-6-carboxylic acid {1-[2-(6-methoxy-quinolin-3-ylsulfanyl)-ethyl]-piperidin-4-yl}-amide | 1236221-15-0

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 7-chloro-3-oxo-3,4-dihydro-2H-benzo[1,4]thiazine-6-carboxylic acid {1-[2-(6-methoxy-quinolin-3-ylsulfanyl)-ethyl]-piperidin-4-yl}-amide
• 英文别名: 7-chloro-N-[1-[2-(6-methoxyquinolin-3-yl)sulfanylethyl]piperidin-4-yl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
• CAS: 1236221-15-0
• 化学式: C₂₆H₂₇ClN₄O₃S₂
• 分子量: 543.11
• InChiKey: KWYLGHQAZHXYEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  36
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  134
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  7-chloro-3-oxo-3,4-dihydro-2H-benzo[1,4]thiazine-6-carboxylic acid 、 1-[2-(6-methoxy-quinolin-3-ylsulfanyl)-ethyl]-piperidin-4-ylamine 生成 、 7-chloro-3-oxo-3,4-dihydro-2H-benzo[1,4]thiazine-6-carboxylic acid {1-[2-(6-methoxy-quinolin-3-ylsulfanyl)-ethyl]-piperidin-4-yl}-amide
  参考文献：
  名称：

  NOVEL BICYCLIC ANTIBIOTICS

  摘要：

  化合物I的抗菌化合物其中X1、X3、X4和X6分别独立地表示氮原子或CR2，但至少其中一个表示氮原子；X2表示C-H、C-(C1-C6烷基)、C-(C1-C6烷氧基)、C-卤素、C-COOH；X5表示C-H或C-(C1-C6烷基)、C-卤素；A1、A2、A3、R1和R4表示各种取代基；G表示未取代或取代的芳基或杂芳基，这些化合物对病原菌表现出良好的活性。

  公开号：

  US20140221348A1

文献信息

• Novel Bicyclic Antibiotics
  申请人：Gaucher Berangere

  公开号：US20120040957A1

  公开（公告）日：2012-02-16

  Compounds of formula (I) wherein X1, X3; X4 and X6, each independently of the others, represents a nitrogen atom or CR2, with the proviso that at least one of X1, X3; X4 and X6 represents a nitrogen atom; X2 represents C—H, C—(C1-C6alkyl), C—(C1-C6alkoxy), C-halogen, C—COOH; X5 represents C—H or C—(C1-C6alkyl), C-halogen; R1 and R2, independently of one another, represent hydrogen or a substituent selected from hydroxy, halogen, carboxy, amino, C1-C6alkylamino, di(C1-C6alkyl)amino, mercapto, cyano, nitro, C1-C6alkyl, C1-C6alkoxy, C1-C6alkylthio, C1-C6alkylamino-carbonyloxy, C2-C6alkenyl, C2-C6alkynyl, C1-C6alkylcarbonyloxy, C1-C6alkyl-sulfonyloxy, C1-C6heteroalkylcarbonyloxy, C5-C6heterocyclyl-carbonyloxy, C1-C6heteroalkyl, C1-C6heteroalkoxy, wherein heteroalkyl, heteroalkoxy groups or heterocyclyl comprise 1, 2 or 3 heteroatoms selected from nitrogen, oxygen and sulphur, in which substituents the alkyl moieties are unsubstituted or further substituted by halogeno, cyano, hydroxy, C1-C4alkoxy, C1-C4alkylcarbonyl, C1-C4alkoxycarbonyl, unsubstituted or substituted phenoxy or phenylcarbonyl, unsubstituted or substituted C5-C6heterocyclyl or carboxy; A1 represents a divalent group of one of the formulae —O—(CH 2 ) m —(CH 2 )—, —S—(CH 2 ) m —(CH 2 )— or —(C═O)O—(CH 2 ) m —(CH 2 )—, wherein the (CH 2 ) m moiety is optionally substituted by C1-C4alkyl, C2-C4alkenyl, C3-C6cycloalkyl, C3-C6cycloalkylmethyl, morpholinomethyl, halogen, carboxy, hydroxy, C1-C4alkoxy; C1-C4alkoxyC1-C4alkyl, C1-C4alkoxy(C1-C4alkylenoxy)C1-C4alkyl, benzyloxyC1-C4alkyl, amino, mono- or di-(C1-C4alkyl)amino or acylamino, in which substituents the alkyl moieties can be further substituted by 1 or more fluoro atoms m is 0, 1 or 2, provided that the nunber of atoms in the direct chain between the two terminal valencies of A 1 is at least 3, which group A 1 is linked to A 2 via the terminal (CH 2 )-moiety; A 2 is a group selected from C 3 -C 8 cycloalkylene; saturated and unsaturated 4 to 8 -membered heterocyclodiyl with 1, 2 or 3 heteroatoms selected from nitrogen, oxygen and sulphur, which group A 2 is unsubstituted or substituted; R 4 represents hydrogen or C 1 -C 4 alkyl; A 3 represents C 1 -C 4 alkylene, C 2 -C 4 alkenylene, >C═O, —C(O)C 1 -C 3 alkylene-, —C(═O)NH—, or a group selected from —C 2 H 4 NH—, —C 2H 4 O—, and —C 2 H 4 S— being linked to the adjacent NR 4 -group via the carbon atom; and G represents aryl or heteroaryl, which is unsubstituted or substituted and n is 0, 1 or 2; or a pharmaceutically acceptable salts, hydrates or solvates thereof are valuable antibacterial agents.

  化合物式(I)中，其中X1、X3、X4和X6分别独立地表示氮原子或CR2，但至少其中一个表示氮原子；X2表示C-H、C-(C1-C6烷基)、C-(C1-C6烷氧基)、C-卤素、C-COOH；X5表示C-H或C-(C1-C6烷基)、C-卤素；R1和R2独立地表示氢或从羟基、卤素、羧基、氨基、C1-C6烷基氨基、二(C1-C6烷基)氨基、巯基、氰基、硝基、C1-C6烷基、C1-C6烷氧基、C1-C6烷基硫基、C1-C6烷基氨基羰氧基、C2-C6烯基、C2-C6炔基、C1-C6烷基羰氧基、C1-C6烷基磺酰氧基、C1-C6杂烷基羰氧基、C5-C6杂环基羰氧基、C1-C6杂烷基、C1-C6杂烷氧基中选择的取代基，其中杂烷基、杂烷氧基或杂环基包括1、2或3个从氮、氧和硫选择的杂原子，在这些取代基中，烷基基团未取代或进一步取代为卤代、氰基、羟基、C1-C4烷氧基、C1-C4烷基羧基、C1-C4烷氧羰基、未取代或取代的苯氧基或苯基羧基、未取代或取代的C5-C6杂环基或羧基；A1表示一个二价基团，其中之一为式之一的基团-O-(CH2)m-( )-、-S-( )m-( )-或-(C═O)O-( )m-( )-，其中( )m基团可以选择地被C1-C4烷基、C2-C4烯基、C3-C6环烷基、C3-C6环烷基甲基、吗啉基甲基、卤素、羧基、羟基、C1-C4烷氧基取代；C1-C4烷氧基C1-C4烷基、C1-C4烷氧基(C1-C4烷氧基)C1-C4烷基、苄氧基C1-C4烷基、氨基、单取代或双取代(C1-C4烷基)氨基或酰基氨基，在这些取代基中，烷基基团可以进一步取代1个或多个氟原子，m为0、1或2，前提是A1的两个端面价之间的直链原子数至少为3，该基团A1通过端面( )基团与A2相连；A2是选择自C3-C8环烷基、饱和和不饱和的1、2或3个从氮、氧和硫选择的杂环二基，该基团A2未取代或取代；R4表示氢或C1-C4烷基；A3表示C1-C4烷基、C2-C4烯基、>C═O、-C(O)C1-C3烷基、-C(═O)NH-或选择自-C2H4NH-、-C2H4O-和-C2H4S-的基团，通过碳原子与相邻的NR4基团相连；G表示未取代或取代的芳基或杂芳基，其中n为0、1或2；或其药学上可接受的盐、水合物或溶剂。这些化合物是有价值的抗菌剂。
• Bicyclic antibiotics
  申请人：Gaucher Berangere

  公开号：US08716280B2

  公开（公告）日：2014-05-06

  The antibacterial compound of formula I wherein X1, X3; X4 and X6, each independently of the others, represents a nitrogen atom or CR2, with the proviso that at least one of X1, X3; X4 and X6 represents a nitrogen atom; X2 represents C—H, C—(C1-C6alkyl), C—(C1-C6alkoxy), C-halogen, C—COOH; X5 represents C—H or C—(C1-C6alkyl), C-halogen; A1, A2, A3, R1 and R4 represent various substituents, G represents aryl or heteroaryl, which is unsubstituted or substituted which compounds show good activity against pathogenic bacteria.

  公式I的抗菌化合物其中X1、X3、X4和X6各自独立地表示氮原子或CR2，但至少其中一个表示氮原子；X2表示C-H、C-(C1-C6烷基)、C-(C1-C6烷氧基)、C-卤素、C-COOH；X5表示C-H或C-(C1-C6烷基)、C-卤素；A1、A2、A3、R1和R4表示各种取代基，G表示未取代或取代的芳基或杂环基，这些化合物表现出对致病菌的良好活性。