1-O-[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R)-2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate;2-methylidenebutanedioic acid

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 三尖杉生物碱
• 英文名称: 1-O-[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R)-2-hydroxy-2-(3-hydroxy-3-methylbutyl)butanedioate;2-methylidenebutanedioic acid
• 化学式: C33H43NO13
• 分子量: 661.7
• InChiKey: SQNDPRAUXNXDJH-HINCUWJGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.29
• 重原子数：
  47
• 可旋转键数：
  13
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  199
• 氢给体数：
  4
• 氢受体数：
  14

文献信息

• [EN] WATER SOLUBLE SALTS OF HARRINGTONINE AND THEIR PHARMACEUTICAL APPLICATIONS<br/>[FR] SELS HYDROSOLUBLES D'HARRINGTONINE ET LEURS APPLICATIONS PHARMACEUTIQUES
  申请人：ROBIN JEAN-PIERRE

  公开号：WO2015128463A1

  公开（公告）日：2015-09-03

  A isolated harringtonines solid salt having formula 1, made by reacting a cephalotaxine ester having formula 2 in which R is, but not limited to, alkyl, aryl, cycloalkyl, heteroalkyl, heteroaryl or heterocycloalkyi, with an acid having general formula AH in a crystallization solvent, wherein the salt has a water or methanol solubility of approximately 5 mg/mL to approximately 100 mg/mL, and its pharmaceutical applications.

  一种孤立的哈林顿碱固体盐，其化学式为1，是通过将具有化学式2的头状红豆杉酯与具有一般化学式AH的酸在结晶溶剂中反应制得的，其中R为但不限于烷基，芳基，环烷基，杂烷基，杂芳基或杂环烷基。该盐在水或甲醇中的溶解度约为5毫克/毫升至100毫克/毫升，并具有其药物应用。