7-methylsulfanyl-4-oxo-1,4-dihydro-pyrimido[4,5-c]pyridazine-3-carboxylic acid | 55084-75-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 7-methylsulfanyl-4-oxo-1,4-dihydro-pyrimido[4,5-c]pyridazine-3-carboxylic acid
• 英文别名: 7-Methylthio-4-oxo-1,4-dihydropyrimido[4,5-c]pyridazine-3-carboxylic acid；1,4-Dihydro-7-(methylthio)-4-oxopyrimido[4,5-c]pyridazine-3-carboxylic acid；7-methylsulfanyl-4-oxo-1H-pyrimido[4,5-c]pyridazine-3-carboxylic acid
• CAS: 55084-75-8
• 化学式: C₈H₆N₄O₃S
• 分子量: 238.227
• InChiKey: MHGLWYPHALOPIM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  130
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  Ethyl-1,4-Dihydro-4-oxo-7-methylthio-pyrimido<4,5-c>pyridazin-3-carboxylate 生成 7-methylsulfanyl-4-oxo-1,4-dihydro-pyrimido[4,5-c]pyridazine-3-carboxylic acid
  参考文献：
  名称：

  MINAMI S.; KIMURA Y.; MIYAMOTO T.; MATSUMOLO J.-I., TETRAHEDRON LETT. , 1974, NO 44, 3893-3896

  摘要：

  DOI：

文献信息

• Heterocyclic mutilin esters and their use as antibacterials
  申请人：——

  公开号：US20040058937A1

  公开（公告）日：2004-03-25

  Pleuromutilin compounds of the formula: 1 are of use in anti-bacterial therapy.

  Pleuromutilin化合物的公式为：1在抗菌疗法中有用。
• 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.