[(2R,3R)-4-[1-[(3,5-dichlorophenyl)methyl]indazole-3-carbonyl]oxy-2,3-dihydroxybutyl] 1-[(3,5-dichlorophenyl)methyl]indazole-3-carboxylate | 1026999-18-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: [(2R,3R)-4-[1-[(3,5-dichlorophenyl)methyl]indazole-3-carbonyl]oxy-2,3-dihydroxybutyl] 1-[(3,5-dichlorophenyl)methyl]indazole-3-carboxylate
• CAS: 1026999-18-7
• 化学式: C₃₄H₂₆Cl₄N₄O₆
• 分子量: 728.416
• InChiKey: IQVACGVZMOKPGZ-LOYHVIPDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  48
• 可旋转键数：
  13
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  129
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  ((4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-diyl)bis(methylene) bis(1-(3,5-dichlorobenzyl)-1H-indazole-3-carboxylate) 在 三氟乙酸 作用下， 以 水 为溶剂， 反应 0.08h， 以63%的产率得到[(2R,3R)-4-[1-[(3,5-dichlorophenyl)methyl]indazole-3-carbonyl]oxy-2,3-dihydroxybutyl] 1-[(3,5-dichlorophenyl)methyl]indazole-3-carboxylate
  参考文献：
  名称：

  Glycosyl and polyalcoholic prodrugs of lonidamine

  摘要：

  Polyhydric alcohol derivatives of the anticancer agent lonidamine (LND) have been synthesized. The increased water solubility showed by prodrugs 4, 7, and 25 together with their logP values (2.19, 2.55, and 2.54, respectively) and chemical stability might be beneficial for prodrugs absorption after oral administration. Moreover, the new prodrugs undergo enzymatic hydrolysis in plasma and release LND demonstrating that they are promising candidates for in vivo investigations. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.02.046

文献信息

• Glycosyl and polyalcoholic prodrugs of lonidamine
  作者：G. Giorgioni、S. Ruggieri、A. Di Stefano、P. Sozio、B. Cinque、L. Di Marzio、G. Santoni、F. Claudi

  DOI：10.1016/j.bmcl.2008.02.046

  日期：2008.4

  Polyhydric alcohol derivatives of the anticancer agent lonidamine (LND) have been synthesized. The increased water solubility showed by prodrugs 4, 7, and 25 together with their logP values (2.19, 2.55, and 2.54, respectively) and chemical stability might be beneficial for prodrugs absorption after oral administration. Moreover, the new prodrugs undergo enzymatic hydrolysis in plasma and release LND demonstrating that they are promising candidates for in vivo investigations. (C) 2008 Elsevier Ltd. All rights reserved.