7-Amino-3-<((5-methyl-1,3,4-thiadiazol-yl)thio)methyl>-8-oxo-5-thia-1-azabicyclo<4.2.0>oct-2-en-2-carbonsaeure-diphenylmethylester | 37059-79-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 7-Amino-3-<((5-methyl-1,3,4-thiadiazol-yl)thio)methyl>-8-oxo-5-thia-1-azabicyclo<4.2.0>oct-2-en-2-carbonsaeure-diphenylmethylester
• 英文别名: 7-amino-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo-[4.2.0]oct-2-ene-2-carboxylic acid,diphenylmethyl ester；7-amino-3-(2-methyl-1,3,4-thiadiazol-5-yl)thiomethyl-3-cephem-4-carboxylic acid benzhydryl ester；7-amino-3-(2-methyl-1,3,4-thiadiazol-5-yl)thiomethyl-3-cephem-4-carboxylic acid diphenylmethyl ester；benzhydryl 7-amino-3-(5-methyl-1,3,4-thiadiazol-2-yl)thiomethyl-3-cephem-4-carboxylate；3-[[(5-Methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, diphenylmethyl ester；7-Amino-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, diphenylmethyl ester；benzhydryl 7-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• CAS: 37059-79-3
• 化学式: C₂₄H₂₂N₄O₃S₃
• 分子量: 510.662
• InChiKey: OQNQWSYPXOWUHL-UHFFFAOYSA-N

物化性质

• 沸点：
  732.8±70.0 °C(Predicted)
• 密度：
  1.49±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  177
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  7-Amino-3-<((5-methyl-1,3,4-thiadiazol-yl)thio)methyl>-8-oxo-5-thia-1-azabicyclo<4.2.0>oct-2-en-2-carbonsaeure-diphenylmethylester 生成 7β-[[[(Aminocarbonyl)amino](D-phenyl)acetyl]amino]-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  参考文献：
  名称：

  3-Heterothio-7-ureido cephalosporins

  摘要：

  公式为##STR1##的化合物，其中R.sub.1是氢，较低的烷基，环烷基，环烯基，环烷二烯基，苯基，苯基-较低的烷基和取代苯基和苯基-较低的烷基; R.sub.2是氢或较低的烷基; R.sub.3是氢，较低的烷基，苯基-较低的烷基，取代苯基-较低的烷基，二苯基-较低的烷基，三（较低的烷基）亚锡基，三（较低的烷基）硅基，形成离子的盐，或者是##STR2##中的基团，其中R是较低的烷基，苯基，苯基-较低的烷基或取代苯基和苯基-较低的烷基; R.sub.4代表某些杂环基团。这些化合物可用作抗菌剂。

  公开号：

  US04088815A1

文献信息

• 3-Heterothio[(thioalkyl)thioacetyl]cephalosporanic derivatives
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US04003893A1

  公开（公告）日：1977-01-18

  3-Heterothio[(thioalkyl)thioacetyl]cephalosporin derivatives which have the formula ##STR1## wherein R is hydrogen, lower alkyl, phenyl-lower alkyl, tri(lower alkyl)silyl, a salt forming ion, or the group ##STR2## R.sub. 1 is hydrogen, lower alkyl, phenyl, thienyl of furyl; R.sub.2 and R.sub.6 each is hydrogen or lower alkyl; R.sub.3 and R.sub.5 each is lower alkyl, phenyl or phenyl-lower alkyl; and R.sub.4 is a five- or six-membered nitrogen and/or sulfur or oxygen-containing ring system; are useful as antibacterial agents.

  具有以下化学式的3-杂硫[(硫代烷基)硫代乙酰基]头孢菌素衍生物：##STR1## 其中R为氢、低碳基、苯基-低碳基、三(低碳基)硅基、盐形成离子或基团##STR2## R.sub.1为氢、低碳基、苯基、噻吩基或呋喃基；R.sub.2和R.sub.6各为氢或低碳基；R.sub.3和R.sub.5各为低碳基、苯基或苯基-低碳基；R.sub.4为五元或六元的含氮和/或硫或氧的环系统；可用作抗菌剂。
• 3-Heterothio-7-ureido cephalosporins
  申请人：E. R. Squibb & Sons, Inc.

  公开号：US04088815A1

  公开（公告）日：1978-05-09

  Compounds of the formula ##STR1## wherein R.sub.1 is hydrogen, lower alkyl, cycloalkyl, cycloalkenyl, cycloalkadienyl, phenyl, phenyl-lower alkyl and substituted phenyl and phenyl-lower alkyl; R.sub.2 is hydrogen or lower alkyl; R.sub.3 is hydrogen, lower alkyl, phenyl-lower alkyl, substituted phenyl-lower alkyl, diphenyl-lower alkyl, tri(lower alkyl)stannyl, tri(lower alkyl)silyl, a salt forming ion, or the group ##STR2## wherein R is lower alkyl, phenyl, phenyl-lower alkyl, or substituted phenyl and phenyl-lower alkyl; and R.sub.4 represents certain heterocyclic groups are disclosed. These compounds are useful as antibacterial agents.

  公式为##STR1##的化合物，其中R.sub.1是氢，较低的烷基，环烷基，环烯基，环烷二烯基，苯基，苯基-较低的烷基和取代苯基和苯基-较低的烷基; R.sub.2是氢或较低的烷基; R.sub.3是氢，较低的烷基，苯基-较低的烷基，取代苯基-较低的烷基，二苯基-较低的烷基，三（较低的烷基）亚锡基，三（较低的烷基）硅基，形成离子的盐，或者是##STR2##中的基团，其中R是较低的烷基，苯基，苯基-较低的烷基或取代苯基和苯基-较低的烷基; R.sub.4代表某些杂环基团。这些化合物可用作抗菌剂。