| 789480-12-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 789480-12-2
• 化学式: C₂₇H₂₆F₃N₄O₆PS
• 分子量: 622.562
• InChiKey: HDXQYFHZOTYZIJ-GGZJQHSXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  42.0
• 可旋转键数：
  11.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  139.72
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  在 碳酸氢钠 作用下， 以 水 为溶剂， 生成
  参考文献：
  名称：

  Synthesis, cleavage, and antifungal activity of a number of novel, water-soluble ester prodrugs of antifungal triazole CS-758

  摘要：

  In this study, the synthesis and evaluation of a number of esters of CS-758 as injectable prodrugs are described. Phosphoryl ester 1a was soluble in water (> 30 mg/mL) and was converted to CS-758 in human liver microsome. It was also converted to CS- 758 in rats after iv administration, wherein the bioavailability of CS- 758 was 53%. Compound 1a ( iv) reduced the viable cell counts in kidneys in a murine systemic Candida albicans infection model, wherein the effect was comparable to or slightly superior to that of CS-58 (po). The prodrug 1a proved to be a promising injectable antifungal agent whose further evaluation is warranted. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.04.135
• 作为产物：
  描述：

  在 bis-triphenylphosphine-palladium(II) chloride 、 三正丁基氢锡 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Synthesis, cleavage, and antifungal activity of a number of novel, water-soluble ester prodrugs of antifungal triazole CS-758

  摘要：

  In this study, the synthesis and evaluation of a number of esters of CS-758 as injectable prodrugs are described. Phosphoryl ester 1a was soluble in water (> 30 mg/mL) and was converted to CS-758 in human liver microsome. It was also converted to CS- 758 in rats after iv administration, wherein the bioavailability of CS- 758 was 53%. Compound 1a ( iv) reduced the viable cell counts in kidneys in a murine systemic Candida albicans infection model, wherein the effect was comparable to or slightly superior to that of CS-58 (po). The prodrug 1a proved to be a promising injectable antifungal agent whose further evaluation is warranted. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.04.135

文献信息

• Triazole derivatives having antifungal activity
  申请人：Sankyo Company Limited

  公开号：EP1083175B1

  公开（公告）日：2003-07-02
• US6337403B1
  申请人：——

  公开号：US6337403B1

  公开（公告）日：2002-01-08
• US6391903B1
  申请人：——

  公开号：US6391903B1

  公开（公告）日：2002-05-21
• US6392082B1
  申请人：——

  公开号：US6392082B1

  公开（公告）日：2002-05-21
• Synthesis, cleavage, and antifungal activity of a number of novel, water-soluble ester prodrugs of antifungal triazole CS-758
  作者：Yoshiko Kagoshima、Makoto Mori、Eiko Suzuki、Takahiro Shibayama、Tamako Iida、Yasuki Kamai、Toshiyuki Konosu

  DOI：10.1016/j.bmcl.2009.04.135

  日期：2009.7

  In this study, the synthesis and evaluation of a number of esters of CS-758 as injectable prodrugs are described. Phosphoryl ester 1a was soluble in water (> 30 mg/mL) and was converted to CS-758 in human liver microsome. It was also converted to CS- 758 in rats after iv administration, wherein the bioavailability of CS- 758 was 53%. Compound 1a ( iv) reduced the viable cell counts in kidneys in a murine systemic Candida albicans infection model, wherein the effect was comparable to or slightly superior to that of CS-58 (po). The prodrug 1a proved to be a promising injectable antifungal agent whose further evaluation is warranted. (C) 2009 Elsevier Ltd. All rights reserved.