allyl 7-β-<2-(thien-2-yl)acetamido>-3-hydroxymethyl-2-cephem-4-carboxylate | 149207-42-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: allyl 7-β-<2-(thien-2-yl)acetamido>-3-hydroxymethyl-2-cephem-4-carboxylate
• 英文别名: allyl 3-hydroxymethyl-7-(2-thienacetamido)-3-cephem-2-carboxylate；allyl 7-β-[2-(thien-2-yl)acetamido]-3-hydroxymethyl-2-cephem-4-carboxylate；prop-2-enyl (6R,7R)-3-(hydroxymethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate
• CAS: 149207-42-1
• 化学式: C₁₇H₁₈N₂O₅S₂
• 分子量: 394.472
• InChiKey: PWPTULOZOUCJAM-XRZAVGITSA-N

物化性质

• 沸点：
  721.1±60.0 °C(predicted)
• 密度：
  1.47±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  150
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  allyl 7-β-<2-(thien-2-yl)acetamido>-3-hydroxymethyl-2-cephem-4-carboxylate 在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 、 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 生成 2-(allyloxy)carbonyl-5-suldoxide-7-(2-thienyl)acetamido-2-cephem-3-methyl 3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazin-8-carboxylate
  参考文献：
  名称：

  Synthesis and antibacterial activity of dual-action agents of a β-lactam antibiotic with cytotoxic agent mitozolomide or temozolomide

  摘要：

  Dual-action agents 5a-f and 12a-f. a beta-lactam antibiotic combined with a cytotoxic agent. mitozolomide (Meto) or temozolomide (Temo). were synthesised. The antibacterial activity (MICs) of the dual-action agents has been determined against a panel of bacteria including several beta-lactamase producing strains. The tests showed 5a-f active against the non-p-lactamase producing methicillin sensitive Staphylococcus aureus (MSSA) strains. however, little synergistic effect between the P-lactam and the cytotoxic agent was observed. 12a-f demonstrated some synergistic effect against bacteria. 12a. in particular. is active against ampicillin resistant (beta-lactamase-producing) strains of Serratia marcescens. (C) 2002 Published by editions scientifiques et medicales Elsevier SAS.

  DOI：

  10.1016/s0223-5234(01)01331-9
• 作为产物：
  描述：

  头孢噻吩 在 吡啶 、 盐酸 、 sodium hydroxide 、 乙酸酐 、 碳酸氢钠 作用下， 以 1,4-二氧六环 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 allyl 7-β-<2-(thien-2-yl)acetamido>-3-hydroxymethyl-2-cephem-4-carboxylate
  参考文献：
  名称：

  Synthesis and antibacterial activity of dual-action agents of a β-lactam antibiotic with cytotoxic agent mitozolomide or temozolomide

  摘要：

  Dual-action agents 5a-f and 12a-f. a beta-lactam antibiotic combined with a cytotoxic agent. mitozolomide (Meto) or temozolomide (Temo). were synthesised. The antibacterial activity (MICs) of the dual-action agents has been determined against a panel of bacteria including several beta-lactamase producing strains. The tests showed 5a-f active against the non-p-lactamase producing methicillin sensitive Staphylococcus aureus (MSSA) strains. however, little synergistic effect between the P-lactam and the cytotoxic agent was observed. 12a-f demonstrated some synergistic effect against bacteria. 12a. in particular. is active against ampicillin resistant (beta-lactamase-producing) strains of Serratia marcescens. (C) 2002 Published by editions scientifiques et medicales Elsevier SAS.

  DOI：

  10.1016/s0223-5234(01)01331-9

文献信息

• Jungheim, Louis N.; Shepherd, Timothy A.; Kling, James K., Heterocycles, 1993, vol. 35, # 1, p. 339 - 348
  作者：Jungheim, Louis N.、Shepherd, Timothy A.、Kling, James K.

  DOI：——

  日期：——
• [EN] METHOD FOR DELIVERY OF CYTOTOXIC AGENTS AND COMPONENTS THEREOF<br/>[FR] PROCEDE D'AMINISTRATION D'AGENTS CYTOTOXIQUES ET CONSTITUANTS DE CEUX-CI
  申请人：HYBRITECH INCORPORATED

  公开号：WO1994001137A1

  公开（公告）日：1994-01-20

  (EN) A method for the treatment of neoplastic diseases which comprises: a) administering a therapeutically effective amount of an antibody-enzyme conjugate to the affected host; and then b) administering a therapeutically effecti e amount of a substrate-cytotoxic agent to the affected host, wherein the substrate is a substrate for the enzyme. Antobidy-enzyme conjugates and substrate-cytotoxic agent compounds are also disclosed.(FR) L'invention concerne un procédé destiné à traiter les maladies néoplasiques et qui consiste: a) à administrer une quantité thérapeutiquement efficace d'un conjugué anticorps/enzyme à l'hôte affecté; et ensuite b) à administrer une quantité thérapeutiquement efficace d'un substrat/agent cytotoxique à l'hôte affecté, le substrat étant un substrat destiné à l'enzyme. L'invention se rapporte également à des conjugués anticoprs/enzyme et à des composés substrat/agent cytotoxique.