4-Oxo-1,4-dihydropyrido[2,3-c]pyridazine-3-carboxylic Acid | 397310-42-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-Oxo-1,4-dihydropyrido[2,3-c]pyridazine-3-carboxylic Acid
• 英文别名: 4-oxo-1H-pyrido[2,3-c]pyridazine-3-carboxylic acid
• CAS: 397310-42-8
• 化学式: C₈H₅N₃O₃
• 分子量: 191.146
• InChiKey: ISPZKRNPZRBKCN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  91.6
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (E)-1-(2-chloropyridin-3-yl)-2-diazonio-3-ethoxy-3-oxoprop-1-en-1-olate;ethyl 4-oxo-1H-pyrido[2,3-c]pyridazine-3-carboxylate 、 三苯基膦 在 甲醇 、 水 、 乙酸乙酯 、 ethyl acetate n-hexane 作用下， 以 异丙醚 为溶剂， 反应 20.0h， 以Chromatography (EtOAc/hexane) gave title compound (3.2 g)的产率得到4-Oxo-1,4-dihydropyrido[2,3-c]pyridazine-3-carboxylic Acid
  参考文献：
  名称：

  Heterocyclic mutilin esters and their use as antibacterials

  摘要：

  公式为的Pleuromutilin化合物在抗菌疗法中有用。

  公开号：

  US06878704B2

文献信息

• HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS
  申请人：SMITHKLINE BEECHAM PLC

  公开号：EP1309565A1

  公开（公告）日：2003-05-14
• US6878704B2
  申请人：——

  公开号：US6878704B2

  公开（公告）日：2005-04-12
• [EN] HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS<br/>[FR] ESTERS DE MUTILINE HETEROCYCLIQUES ET LEUR UTILISATION EN TANT QU'AGENTS ANTIBACTERIENS
  申请人：SMITHKLINE BEECHAM PLC

  公开号：WO2002012199A1

  公开（公告）日：2002-02-14

  Pleuromutilin compounds of formula (I), (II) in which: R1 is: a 5- or 6-membered aromatic or heteroaromatic ring attached via a ring carbon atom, preferably pyridyl, and comprising a substituent selected from halo, R?7O-, R7S- or R8R9¿N- on a ring carbon adjacent to the carbon of attachment; or a 5- or 6-membered dihydro heteroaromatic ring attached via a ring carbon atom and comprising one oxygen or one or two nitrogen atoms and optionally fused to phenyl, a 5- or 6-membered heteroaryl ring comprising one or two nitrogen atoms or a 5- or 6-membered heterocyclyl ring comprising a sulphur, oxygen or nitrogen atom and further comprising a substituent selected from oxo or thioxo on a ring carbon adjacent to the carbon of attachment; a 6-membered tetrahydro heteroaromatic ring attached via a ring carbon atom comprising one or two nitrogen atoms and further comprising two substituents independently selected from oxo or thioxo wherein one of the substituents is on a ring carbon adjacent to the carbon of attachment; or a bicyclic heteroyaryl ring attached via a ring carbon atom and comprising nine or ten ring atoms and from one to four nitrogen atoms; wherein the ring of R1 may be optionally further substituted; R2 is vinyl or ethyl; R3 is H, OH or F and R4 is H, or R3 is H and R4 is F and R?5 and R6¿ together form an oxo group; or R?3 and R4¿ is each H and R5 is H, or OH and R6 is H or H5 is H and R6 is H or OH; R7 is optionally substituted C¿(1-6)?alkyl; and R?8 and R9¿ are independently selected from hydrogen or optionally substituted C¿(1-6)?alkyl, present antibacterial activity.