(E)-benzhydryl 7β-t-butoxycarbonylamino-3-[2-(5-methyl-1,3,4-thiazol-2-yl)thio]vinyl-3-cephem-4-carboxylate | 77361-05-8

• 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: (E)-benzhydryl 7β-t-butoxycarbonylamino-3-[2-(5-methyl-1,3,4-thiazol-2-yl)thio]vinyl-3-cephem-4-carboxylate
• 英文别名: benzhydryl (6R,7R)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(E)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• CAS: 77361-05-8
• 化学式: C₃₀H₃₀N₄O₅S₃
• 分子量: 622.79
• InChiKey: OVKRBERMLHZQLZ-XETJPPLNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.85
• 重原子数：
  42.0
• 可旋转键数：
  8.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  110.72
• 氢给体数：
  1.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  (E)-benzhydryl 7β-t-butoxycarbonylamino-3-[2-(5-methyl-1,3,4-thiazol-2-yl)thio]vinyl-3-cephem-4-carboxylate 生成 benzhydryl (6R,7R)-7-amino-3-[(E)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethenyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  参考文献：
  名称：

  FARGE, D.;LE, ROY, P.;MOUTONNIER, C.;PEYRONNEL, J. -F.

  摘要：

  DOI：
• 作为产物：
  描述：

  benzhydryl (6R,7R)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(E)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethenyl]-5,8-dioxo-5λ4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate 生成 (E)-benzhydryl 7β-t-butoxycarbonylamino-3-[2-(5-methyl-1,3,4-thiazol-2-yl)thio]vinyl-3-cephem-4-carboxylate
  参考文献：
  名称：

  FARGE, D.;LE, ROY, P.;MOUTONNIER, C.;PEYRONNEL, J. -F.

  摘要：

  DOI：

文献信息

• studies on anti-helicobacter pylori agents. part 2: new cephem derivatives
  作者：Yoshiki Yoshida、Keiji Matsuda、Hiroshi Sasaki、Yoshimi Matsumoto、Satoru Matsumoto、Shuichi Tawara、Hisashi Takasugi

  DOI：10.1016/s0968-0896(00)00163-2

  日期：2000.9

  The synthesis and optimization of the anti-Helicobacter pylori activity of a novel series of cephem derivatives are described. Introduction of thio-heterocyclic groups containing N- and S-atoms to the 3-position and phenyl or thienyl acetamido groups to the 7-position of the cephem nucleus dramatically improved the activity. From this series of derivatives, compound 13i was Found to have extremely potent in vitro anti-H. pylori activity, superior therapeutic efficacy compared to AMPC and CAM, no cross-resistance between CAM or MNZ and low potential for causing diarrhea due to instability to beta-lactamase. (C) 2000 Elsevier Science Ltd. All rights reserved.