1-Oxopyridazine-3-thiol, sodium salt | 64844-22-0

• 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: 1-Oxopyridazine-3-thiol, sodium salt
• CAS: 64844-22-0
• 化学式: C₄H₃N₂OS*Na
• 分子量: 150.136
• InChiKey: JNNBVXNQEWEGPF-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.38
• 重原子数：
  9.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  39.83
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1-Oxopyridazine-3-thiol, sodium salt 、 3-[(Acetyloxy)methyl]-7β-[[D-[[[(methoxymethyl)amino]carbonyl]amino]-2-thienylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 在 盐酸 作用下， 以 水 、 丙酮 为溶剂， 生成 7β-[[D-[[[(Methoxymethyl) amino]carbonyl]amino]-2-thienylacetyl]-amino]-3-[[(1-oxopyridazin-3-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  参考文献：
  名称：

  Alkoxy and alkylthioalkylureido cephalosporins

  摘要：

  本文介绍了一种化合物，即公式 ##STR1## 中的烷氧基和烷硫基烷基脲头孢菌素，其中R为氢，低级烷基，苯基-低级烷基，二苯基-低级烷基，三(低级烷基)硅基，三卤乙基，盐形成离子或基团 ##STR2## R.sub.1为氢或甲氧基；A为1到6个碳原子的直链或支链烷基；R.sub.2为低级烷基；Y为O或S；R.sub.3为氢或低级烷基；R.sub.4为氢，低级烷基，环烷基，环烯基，环烷二烯基，苯基，苯基-低级烷基，取代苯基，取代苯基-低级烷基或某些杂环基团；R.sub.5为氢或低级烷基；R.sub.6为低级烷基；X为氢，低级烷酰氧基，##STR3## 或某些杂硫基团。这些化合物可用作抗菌剂。

  公开号：

  US04049651A1

文献信息

• 7-Cyanoalkylureido 3 heterocylic thio methyl cephalosporins
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US04096329A1

  公开（公告）日：1978-06-20

  Cyanoalkylureido cephalosporins of the formula ##STR1## wherein R is hydrogen, lower alkyl, phenyl-lower alkyl, diphenyl-lower alkyl, tri(lower alkyl)silyl, trihaloethyl, a salt forming ion, or the group ##STR2## R.sub.1 is hydrogen or methoxy; A is straight or branched chain alkylene or ##STR3## R.sub.2 is phenyl, 2-thienyl, or 3-thienyl; R.sub.3 is hydrogen or lower alkyl; R.sub.4 is hydrogen, lower alkyl, cycloalkyl, cycloalkenyl, cycloalkadienyl, phenyl, phenyl-lower alkyl, substituted phenyl, substituted phenyl-lower alkyl, or certain heterocyclic groups; R.sub.5 is hydrogen or lower alkyl; R.sub.6 is lower alkyl; and X is hydrogen, lower alkanoyloxy, ##STR4## or certain heterothio groups; are disclosed. These compounds are useful as antibacterial agents.

  氰基烷基脲基头孢菌素的化学式为##STR1##其中R为氢、较低的烷基、苯基较低的烷基、二苯基较低的烷基、三(较低的烷基)硅基、三卤乙基、形成盐离子的基团或##STR2##R.sub.1为氢或甲氧基；A为直链或支链烷基或##STR3##R.sub.2为苯基、2-噻吩基或3-噻吩基；R.sub.3为氢或较低的烷基；R.sub.4为氢、较低的烷基、环烷基、环烯基、环二烯基、苯基、苯基较低的烷基、取代苯基、取代苯基较低的烷基或某些杂环基团；R.sub.5为氢或较低的烷基；R.sub.6为较低的烷基；X为氢、较低的烷酰氧基、##STR4##或某些杂硫基团；这些化合物可用作抗菌剂。
• Carbamoylalkylureido cephalosporins
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US04086422A1

  公开（公告）日：1978-04-25

  Carbamoyalkylureido cephalosporins of the formula ##STR1## wherein R is hydrogen, lower alkyl, phenyl-lower alkyl, diphenyl-lower alkyl, tri(lower alkyl)silyl, trihaloethyl, a salt forming ion, or the group ##STR2## R.sub.1 is hydrogen or methoxy; A is straight or branched chain alkylene of 1 to 6 carbons; R.sub.2 and R.sub.3 are independently selected from hydrogen and straight chain alkyl of 1 to 4 carbons, or R.sub.2 is hydrogen and R.sub.3 is branched chain alkyl of 3 or 4 carbons, phenyl, benzyl or phenethyl, or R.sub.2 and R.sub.3 taken together with N atom to which they are attached form ##STR3## R.sub.4 is hydrogen or lower alkyl; R.sub.5 is hydrogen, lower alkyl, cycloalkyl, cycloalkenyl, cycloalkadienyl, phenyl, phenyl-lower alkyl, substituted phenyl, substituted phenyl-lower alkyl, or certain heterocyclic groups; R.sub.6 is hydrogen or lower alkyl; R.sub.7 is lower alkyl; and X is hydrogen, lower alkanoyloxy, ##STR4## or certain heterothio groups; are disclosed. These compounds are useful as antibacterial agents.

  卡巴莫基脲基头孢菌素的化学式为##STR1##其中R为氢、较低的烷基、苯基较低的烷基、二苯基较低的烷基、三(较低的烷基)硅基、三卤乙基、形成盐的离子，或者是##STR2##R.sub.1为氢或甲氧基；A为1至6个碳原子的直链或支链烷基；R.sub.2和R.sub.3分别选自氢和1至4个碳原子的直链烷基，或者R.sub.2为氢且R.sub.3为3或4个碳原子的支链烷基、苯基、苄基或苯乙基，或者R.sub.2和R.sub.3与它们连接的N原子一起形成##STR3##R.sub.4为氢或较低的烷基；R.sub.5为氢、较低的烷基、环烷基、环烯基、环二烯基、苯基、苯基较低的烷基、取代苯基、取代苯基较低的烷基或者某些杂环基团；R.sub.6为氢或较低的烷基；R.sub.7为较低的烷基；X为氢、较低的烷酰氧基、##STR4##或者某些杂硫基团；这些化合物可用作抗菌剂。
• Alkenyl and alkinylureido cephalosporins
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US04028354A1

  公开（公告）日：1977-06-07

  Alkenyl and alkinylureido cephalosporins of the formula ##STR1## wherein R is hydrogen, lower alkyl, phenyl-lower alkyl, diphenyl-lower alkyl, tri(lower alkyl)silyl, trihaloethyl, a salt forming ion, or the group ##STR2## R.sub.1 is hydrogen or methoxy; R.sub.2 is lower alkenyl or lower alkinyl, R.sub.3 is hydrogen or lower alkyl; R.sub.4 is hydrogen, lower alkyl, cycloalkyl, cycloalkenyl, cycloalkadienyl, phenyl, phenyl-lower alkyl, substituted phenyl, substituted phenyl-lower alkyl, or certain heterocyclic groups; R.sub.5 is hydrogen or lower alkyl; R.sub.6 is lower alkyl; and X is hydrogen, lower alkanoyloxy, ##STR3## or certain heterothio groups; are disclosed. These compounds are useful as antibacterial agents.

  烯基和炔基脲基头孢菌素的化学式为##STR1##其中R为氢、低碳烷基、苯基-低碳烷基、二苯基-低碳烷基、三(低碳烷基)硅基、三卤乙基、盐形成离子，或者是##STR2##R1为氢或甲氧基；R2为低烯基或低炔基，R3为氢或低碳烷基；R4为氢、低碳烷基、环烷基、环烯基、环二烯基、苯基、苯基-低碳烷基、取代苯基、取代苯基-低碳烷基，或者某些杂环基团；R5为氢或低碳烷基；R6为低碳烷基；X为氢、低烷酰氧基、##STR3##或者某些杂硫基团；这些化合物可用作抗菌剂。
• Trifluoroalkylureido 3-heterocyclic thio methyl cephalosporins
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US04092475A1

  公开（公告）日：1978-05-30

  Trifluoroalkylureido cephalosporins of the formula ##STR1## wherein R is hydrogen, lower alkyl, phenyl-lower alkyl, diphenyl-lower alkyl, tri(lower alkyl)silyl, trihaloethyl, a salt forming ion, or the group ##STR2## R.sub.1 is hydrogen or methoxy; A is straight or branched chain alkylene of 1 to 6 carbons; R.sub.2 is hydrogen or lower alkyl; R.sub.3 is hydrogen, lower alkyl, cycloalkyl, cycloalkenyl, cycloalkadienyl, phenyl, phenyl-lower alkyl, substituted phenyl, substituted phenyl-lower alkyl, or certain heterocyclic groups; R.sub.4 is hydrogen or lower alkyl; R.sub.5 is lower alkyl; and X is hydrogen, lower alkanoyloxy, ##STR3## or certain heterothio groups are disclosed. These compounds are useful as antibacterial agents.

  公式为##STR1##的三氟烷基脲头孢菌素，其中R为氢、低碳基、苯基-低碳基、二苯基-低碳基、三(低碳基)硅基、三卤乙基、盐形成离子，或者是##STR2##，R.sub.1为氢或甲氧基；A为1到6个碳原子的直链或支链烷基；R.sub.2为氢或低碳基；R.sub.3为氢、低碳基、环烷基、环烯基、环烷二烯基、苯基、苯基-低碳基、取代苯基、取代苯基-低碳基，或者某些杂环基团；R.sub.4为氢或低碳基；R.sub.5为低碳基；X为氢、低碳酰氧基、##STR3##或某些杂硫基团。这些化合物可用作抗菌剂。
• Oxopyridazinylthiomethyl derivatives of ureidocephalosporins
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US03996218A1

  公开（公告）日：1976-12-07

  Ureido cephalosporin derivatives of the formula ##STR1## wherein R is hydrogen, lower alkyl, phenyl-lower alkyl, diphenyl-lower alkyl, tri(lower alkyl)silyl, trihaloethyl, a salt forming ion, or the group ##STR2## R.sub.1 is hydrogen, lower alkyl, cycloalkyl, cycloalkenyl, cycloalkadienyl, phenyl, phenyl-lower alkyl, substituted phenyl or phenyl-lower alkyl, or certain heterocyclic groups; R.sub.2 is hydrogen or lower alkyl; R.sub.3 is hydrogen or methoxy; R.sub.4 is hydrogen, halogen, lower alkyl, or lower alkoxy; R.sub.5 is hydrogen or lower alkyl; R.sub.6 is lower alkyl, phenyl, or phenyl-lower alkyl; are disclosed. These compounds are useful as antibacterial agents.

  本发明涉及尿素头孢菌素衍生物，其化学式为 ## STR1 ## 其中R为氢，低碳基，苯基低碳基，二苯基低碳基，三（低碳基）硅基，三卤乙基，成盐离子或基团 ## STR2 ## R.sub.1为氢，低碳基，环烷基，环烯基，环戊二烯基，苯基，苯基低碳基，取代苯基或苯基低碳基，或某些杂环基团；R.sub.2为氢或低碳基；R.sub.3为氢或甲氧基；R.sub.4为氢，卤素，低碳基或低碳氧基；R.sub.5为氢或低碳基；R.sub.6为低碳基，苯基或苯基低碳基。这些化合物可用作抗菌剂。