| 329744-53-8

• 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
• CAS: 329744-53-8
• 化学式: C₃₀H₃₀F₃N₅O₄S
• 分子量: 613.661
• InChiKey: XHXAOHKENJZSQE-NGKIKDOMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.49
• 重原子数：
  43.0
• 可旋转键数：
  12.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  125.28
• 氢给体数：
  1.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  (2R,3R)-3-(((2R,5r)-2-((1E,3E)-4-(4-cyano-2-fluorophenyl)buta-1,3-dien-1-yl)-1,3-dioxan-5-yl)thio)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-yl 3-(1,3-dioxoisoindolin-2-yl)propanoate 在 甲基肼 作用下， 以 二氯甲烷 为溶剂， 以61%的产率得到
  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：US06337403B1

  公开（公告）日：2002-01-08

  Compounds of the following formula (I) and pharmaceutically acceptable esters and salts thereof: Ar is a phenyl group which may optionally be substituted by from 1 to 3 substituents selected from the group consisting of halogen atoms and trifluoromethyl groups. The compounds (and pharmaceutically acceptable esters and salts thereof) have excellent antifungal activity.

  以下公式（I）及其药用可接受的酯和盐的化合物：其中Ar是苯基，可以选择性地被1至3个卤素原子或三氟甲基基团中的一种或多种取代。这些化合物（及其药用可接受的酯和盐）具有优异的抗真菌活性。