7-(4-(t-Butyloxycarbonyl) piperazin-1-yl)-1-ethyl-4-oxo-1,4-dihydro-6,8-diazaquinoline-3-carboxylic Acid | 397310-37-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 7-(4-(t-Butyloxycarbonyl) piperazin-1-yl)-1-ethyl-4-oxo-1,4-dihydro-6,8-diazaquinoline-3-carboxylic Acid
• 英文别名: 7-(4-(t-Butyloxycarbonyl)piperazin-1-yl)-1-ethyl-4-oxo-1,4-dihydro-6,8-diazaquinoline-3-carboxylic acid；8-ethyl-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-5-oxopyrido[2,3-d]pyrimidine-6-carboxylic acid
• CAS: 397310-37-1
• 化学式: C₁₉H₂₅N₅O₅
• 分子量: 403.438
• InChiKey: OMENVVKCCBKAAJ-UHFFFAOYSA-N

物化性质

• 沸点：
  585.3±60.0 °C(Predicted)
• 密度：
  1.336±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  116
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  二碳酸二叔丁酯 、 吡哌酸 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 7-(4-(t-Butyloxycarbonyl) piperazin-1-yl)-1-ethyl-4-oxo-1,4-dihydro-6,8-diazaquinoline-3-carboxylic Acid
  参考文献：
  名称：

  Heterocyclic mutilin esters and their use as antibacterials

  摘要：

  Pleuromutilin化合物的公式为：1在抗菌疗法中有用。

  公开号：

  US20040058937A1

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.