diphenylmethyl 7β-amino-3-[(Z)-2-(3-pyridyl)vinylthio]-3-cephem-4-carboxylate | 97639-50-4

• 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: diphenylmethyl 7β-amino-3-[(Z)-2-(3-pyridyl)vinylthio]-3-cephem-4-carboxylate
• 英文别名: benzhydryl 7beta-amino-3-[(Z)-2-(3-pyridyl)vinylthio]-3-cephem-4-carboxylate；benzhydryl (6R,7R)-7-amino-8-oxo-3-[(Z)-2-pyridin-3-ylethenyl]sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• CAS: 97639-50-4
• 化学式: C₂₇H₂₃N₃O₃S₂
• 分子量: 501.63
• InChiKey: WYKIMQAPKCQGLS-KLDJYRDMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  35
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  136
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  diphenylmethyl 7β-amino-3-[(Z)-2-(3-pyridyl)vinylthio]-3-cephem-4-carboxylate 生成 (6R,7R)-7-[[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-ethoxyiminoacetyl]amino]-8-oxo-3-[(Z)-2-pyridin-3-ylethenyl]sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
  参考文献：
  名称：

  TAKATANI, TAKAO;TODZUKA, DZEHNDZABURO;YASUDA, SYUESI;KAVABATA, KODZI

  摘要：

  DOI：
• 作为产物：
  描述：

  diphenylmethyl 7β-formamido-3-[(Z)-2-(3-pyridyl)vinylthio]-3-cephem-4-carboxylate 在 盐酸 作用下， 以 甲醇 为溶剂， 以83%的产率得到diphenylmethyl 7β-amino-3-[(Z)-2-(3-pyridyl)vinylthio]-3-cephem-4-carboxylate
  参考文献：
  名称：

  Orally active cephalosporins. Part 2: Synthesis, structure–activity relationships and oral absorption of cephalosporins having a C-3 pyridyl side chain

  摘要：

  A series of 7 beta-[(Z)-2-(2-aminothiazol-4-yl)-2-hydroxyiminoacetamido]cephalosporins having a pyridine ring connected through various spacer moieties at the C-3 position was designed and synthesized and evaluated for antibacterial activity and oral absorption in rats. All compounds showed potent antibacterial activity against Staphylococcus aureus, whereas antibacterial activity against Gram-negative bacteria was markedly influenced by the spacer moiety between the pyridine and cephem nucleus. Oral absorption was influenced by the position of the pyridine nitrogen as well as by the spacer moiety. Among these compounds, FR86830 (14), having a 4-pyridylmethylthio moiety at the C-3 position, showed the most well balanced activity and moderate oral absorption. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(00)00021-3

文献信息

• Cephem compounds and pharmaceutical use thereof
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US06150351A1

  公开（公告）日：2000-11-21

  This invention relates to new cephem compound represented by the following general formula (I): ##STR1## wherein each symbol is as defined in the specification or a salt thereof, which has antimicrobial activity against Helicobacter pylori, and are useful as anti-Helicobacter pylori agents, anti-gastritis agents, anti-ulcer agents and anti-cancer agents.

  本发明涉及一种新的头孢菌素化合物，其通式表示为以下通式(I)：##STR1## 其中每个符号如规范中所定义或其盐，具有抗幽门螺杆菌活性，并且可用作抗幽门螺杆菌剂、抗胃炎剂、抗溃疡剂和抗癌剂。
• TAKATANI, TAKAO;TODZUKA, DZEHNDZABURO;YASUDA, SYUESI;KAVABATA, KODZI
  作者：TAKATANI, TAKAO、TODZUKA, DZEHNDZABURO、YASUDA, SYUESI、KAVABATA, KODZI

  DOI：——

  日期：——
• TAKAYA, TAKAO;TOZUKA, ZENZABURO;YASUDA, NOBUYOSHI;KAWABATA, KOHJI
  作者：TAKAYA, TAKAO、TOZUKA, ZENZABURO、YASUDA, NOBUYOSHI、KAWABATA, KOHJI

  DOI：——

  日期：——
• KAWABATA, KOHJI;TAKAYA, TAKAO;TOZUKA, ZENZABURO;YASUDA, NOBUYOSHI
  作者：KAWABATA, KOHJI、TAKAYA, TAKAO、TOZUKA, ZENZABURO、YASUDA, NOBUYOSHI

  DOI：——

  日期：——
• US6150351A
  申请人：——

  公开号：US6150351A

  公开（公告）日：2000-11-21