(S)-5-fluoro-1-methyl-4-(4-methylpiperazin-1-yl)-1H-isothiazolo[5,4-b][1,4]oxazino[2,3,4-ij]quinoline-7,8(2H,9H)-dione | 1072918-10-5

• 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: (S)-5-fluoro-1-methyl-4-(4-methylpiperazin-1-yl)-1H-isothiazolo[5,4-b][1,4]oxazino[2,3,4-ij]quinoline-7,8(2H,9H)-dione
• 英文别名: (8S)-3-fluoro-8-methyl-4-(4-methylpiperazin-1-yl)-6-oxa-11-thia-9,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),10(14)-tetraene-13,15-dione
• CAS: 1072918-10-5
• 化学式: C₁₈H₁₉FN₄O₃S
• 分子量: 390.438
• InChiKey: SXHMNDSZCRGGFJ-VIFPVBQESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  27
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  90.4
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• 4-SUBSTITUTED-1H-ISOTHIAZOLO[5,4-B][1,4]OXAZINO[2,3,4-IJ]QUINOLINE-7,8(2H,9H)-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS
  申请人：Bradbury Barton James

  公开号：US20090012071A1

  公开（公告）日：2009-01-08

  The present invention provides compounds of the formula that possess antimicrobial activity. Certain compounds provided herein possess potent antibacterial, antiprotozoal, or antifungal activity. Particular compounds provided herein are also potent and/or selective inhibitors of microbial DNA synthesis and reproduction. The invention provides anti-microbial compositions, including pharmaceutical compositions, containing a compound of the invention and one or more or more carriers. The invention provides pharmaceutical compositions containing a 4-substituted- 1 H-isothiazolo[5,4-b][1,4]oxazino[2,3,4-ij]quinoline-7,8(2H,9H)-dione or related compound as the only active agent or in combination with one or more other active agents. The invention provides methods for treating or preventing microbial infections, preferably animals, by administering an effective amount of a 4-substituted- 1 H-isothiazolo[5,4-b][1,4]oxazino[2,3,4-ij]quinoline-7,8(2H,9H)-dione or related compound to an organism suffering from or susceptible to microbial infection. The invention also provides methods of inhibiting microbial growth and survival by applying an effective amount of a 4-substituted- 1 H-isothiazolo[5,4-b][1,4]oxazino[2,3,4-ij]quinoline-7,8(2H,9H)-dione or related compound.
• [EN] 4-SUBSTITUTED-1H-ISOTHIAZOLO[5,4-B][1,4]OXAZINO[2,3,4-IJ]QUINOLINE-7,8(2H,9H)-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS<br/>[FR] 1H-ISOTHIAZOLO[5,4-B][1,4]OXAZINO[2,3,4-IJ]QUINOLINE-7,8(2H,9H)-DIONES SUBSTITUÉES EN POSITION 4 ET COMPOSÉS APPARENTÉS EN TANT QU'AGENTS ANTI-INFECTIEUX
  申请人：ACHILLION PHARMACEUTICALS INC

  公开号：WO2008131415A1

  公开（公告）日：2008-10-30

  [EN] 4-Substituted-lH-Isothiazolo[5,4-b][l,4]Oxazino[2,3,4-ij]Quinoline-7,8(2H,9H)-Diones (see Formula).The present invention provides compounds of the formula that possess antimicrobial activity. Certain compounds provided herein possess potent antibacterial, antiprotozoal, or antifungal activity. Particular compounds provided herein are also potent and/or selective inhibitors of microbial DNA synthesis and reproduction. The invention provides anti-microbial compositions, including pharmaceutical compositions, containing a compound of the invention and one or more or more carriers. The invention provides pharmaceutical compositions containing a 4-substituted-lH- isothiazolo[5,4-b][l,4]oxazino[2,3,4-ij]quinoline-7,8(2H,9H)-dione or related compound as the only active agent or in combination with one or more other active agents. The invention provides methods for treating or preventing microbial infections, preferably animals, by administering an effective amount of a 4-substituted-lH-isothiazolo[5,4-b][l,4]oxazino[2,3,4-ij]quinoline-7,8(2H,9H)-dione or related compound to an organism suffering from or susceptible to microbial infection. The invention also provides methods of inhibiting microbial growth and survival by applying an effective amount of a 4-substituted-lH-isothiazolo[5,4-b][l,4]oxazino[2,3,4-ij]quinoline-7,8(2H,9H)-dione or related compound.
  [FR] La présente invention concerne des 1H-isothiazolo[5,4-b][1,4]oxazino[2,3,4-ij]quinoline-7,8(2H,9H)-diones substituées en position 4 de formule (I) qui possèdent une activité antimicrobienne. Certains composés proposés selon l'invention possèdent une puissante activité antibactérienne, antiprotozoaire ou antifongique. Des composés particuliers proposés selon l'invention sont également des inhibiteurs puissants et/ou sélectifs de la reproduction et de la synthèse de l'ADN microbiennes. L'invention concerne des compositions antimicrobiennes, y compris des compositions pharmaceutiques, qui contiennent un composé selon l'invention et un ou plusieurs vecteurs. L'invention concerne des compositions pharmaceutiques contenant une 1H-isothiazolo[5,4-b][1,4]oxazino[2,3,4-ij]quinoline-7,8(2H,9H)-dione substituée en position 4 ou des composés apparentés en tant que seul agent actif ou en combinaison avec un ou plusieurs autres agents actifs. L'invention concerne des procédés de prévention ou de traitement des infections microbiennes, de préférence chez des animaux, par l'administration d'une quantité efficace d'une 1H-isothiazolo[5,4-b][1,4]oxazino[2,3,4-ij]quinoline-7,8(2H,9H)-dione substituée en position 4 ou d'un composé apparenté à un organisme atteint d'une infection microbienne ou sensible aux infections microbiennes. L'invention concerne également des procédés d'inhibition de la survie et de la croissance microbiennes par l'application d'une quantité efficace d'une 1H-isothiazolo[5,4-b][1,4]oxazino[2,3,4-ij]quinoline-7,8(2H,9H)-dione substituée en position 4 ou d'un composé apparenté.