4-(N-叔丁氧羰基-N-甲基氨基乙酰氧基)-3,5-二甲基溴苄 | 241479-84-5

• 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
• 中文名称: 4-(N-叔丁氧羰基-N-甲基氨基乙酰氧基)-3,5-二甲基溴苄
• 英文名称: 4-(bromomethyl)-2,6-dimethylphenyl N-(tert-butoxycarbonyl)-N-methylglycinate
• 英文别名: [4-(bromomethyl)-2,6-dimethylphenyl] 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
• CAS: 241479-84-5
• 化学式: C₁₇H₂₄BrNO₄
• 分子量: 386.286
• InChiKey: PNDSFBFEZNPLNO-UHFFFAOYSA-N

物化性质

• 沸点：
  440.8±45.0 °C(Predicted)
• 密度：
  1.292±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  55.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  雷夫康唑 、 4-(N-叔丁氧羰基-N-甲基氨基乙酰氧基)-3,5-二甲基溴苄 以 乙腈 为溶剂， 以70%的产率得到4-{4-[2-(tert-Butoxycarbonyl-methyl-amino)-acetoxy]-3,5-dimethyl-benzyl}-1-[(2R,3R)-3-[4-(4-cyano-phenyl)-thiazol-2-yl]-2-(2,4-difluoro-phenyl)-2-hydroxy-butyl]-1H-[1,2,4]triazol-4-ium; bromide
  参考文献：
  名称：

  Synthesis of novel water soluble benzylazolium prodrugs of lipophilic azole antifungals

  摘要：

  Water soluble N-benzyltriazolium or N-benzylimidazolium salt type prodrugs of several highly lipophilic triazole or imidazole antifungals have been synthesized. They were designed to undergo an enzymatic activation followed by a self-cleavage to release a parent drug. The prodrugs such as 16 had enough chemical stability and water solubility for parenteral use and were rapidly and quantitatively converted to the active substance in human plasma. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00557-7
• 作为产物：
  描述：

  叔丁氧羰酰基肌氨酸 在 4-二甲氨基吡啶 、 sodium tetrahydroborate 、 四溴化碳 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 三苯基膦 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 4-(N-叔丁氧羰基-N-甲基氨基乙酰氧基)-3,5-二甲基溴苄
  参考文献：
  名称：

  Synthesis of novel water soluble benzylazolium prodrugs of lipophilic azole antifungals

  摘要：

  Water soluble N-benzyltriazolium or N-benzylimidazolium salt type prodrugs of several highly lipophilic triazole or imidazole antifungals have been synthesized. They were designed to undergo an enzymatic activation followed by a self-cleavage to release a parent drug. The prodrugs such as 16 had enough chemical stability and water solubility for parenteral use and were rapidly and quantitatively converted to the active substance in human plasma. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00557-7

文献信息

• CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCTION OF THE DERIVATIVES, AND USE OF THE SAME
  申请人：Ichikawa Takashi

  公开号：US20090209585A1

  公开（公告）日：2009-08-20

  The present invention relates to a cycloalkene derivative represented by the formula (I): wherein each symbol is as defined in the specification, a pharmaceutical agent containing the derivative, and a production method thereof. The cycloalkene derivative of the present invention has high solubility in water and is suitable for use as an injection.

  本发明涉及一种由式(I)表示的环烷烯衍生物，其中每个符号如规范中定义，包含该衍生物的制药剂和其生产方法。本发明的环烷烯衍生物在水中具有高溶解度，适用于注射。
• EP2039681
  申请人：——

  公开号：——

  公开（公告）日：——
• Synthesis of novel water soluble benzylazolium prodrugs of lipophilic azole antifungals
  作者：Jun Ohwada、Chikako Murasaki、Toshikazu Yamazaki、Shigeyasu Ichihara、Isao Umeda、Nobuo Shimma

  DOI：10.1016/s0960-894x(02)00557-7

  日期：2002.10

  Water soluble N-benzyltriazolium or N-benzylimidazolium salt type prodrugs of several highly lipophilic triazole or imidazole antifungals have been synthesized. They were designed to undergo an enzymatic activation followed by a self-cleavage to release a parent drug. The prodrugs such as 16 had enough chemical stability and water solubility for parenteral use and were rapidly and quantitatively converted to the active substance in human plasma. (C) 2002 Elsevier Science Ltd. All rights reserved.