[(4E,10E)-13,20-dihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl] carbamate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酰胺类
• 英文名称: [(4E,10E)-13,20-dihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl] carbamate
• 化学式: C₂₉H₄₄N₂O₈
• 分子量: 548.7
• InChiKey: VFJOOSVDHSUNKR-HSPCBKRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  39
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  150
• 氢给体数：
  4
• 氢受体数：
  8

文献信息

• BENZENOID ANSAMYCIN DERIVATIVE
  申请人：Yamaguchi Shinpei

  公开号：US20090048253A1

  公开（公告）日：2009-02-19

  The present invention provides a benzenoid ansamycin derivative represented by Formula (I) (wherein R 1 and R 2 each represent a hydrogen atom or are combined together to form a bond, R 8 represents a bond or an oxygen atom, R 11 represents hydroxy, substituted or unsubstituted lower alkoxy or substituted or unsubstituted lower alkanoyloxy, R 15 represents a hydrogen atom or methoxy, R 22 represents a hydrogen atom, substituted or unsubstituted lower alkyl, substituted or unsubstituted lower alkanoyl or substituted or unsubstituted aroyl, R 4 and R 5 each represent a hydrogen atom or are combined together to form a bond, R 18 represents a hydrogen atom, or the like, R 21 represents hydroxy or the like, and R 17 and R 19 may be the same or different and each represents a hydrogen atom, or the like) or a pharmaceutically acceptable salt thereof.
• C21-Deoxy Ansamycin Derivatives as Antitumor Agents
  申请人：Moss Steven

  公开号：US20100210597A1

  公开（公告）日：2010-08-19

  According to the invention there are provided derivatives of a C21-deoxy ansamycin or salt thereof which contain a 1-hydroxyphenyl moiety bearing at position 3 an aminocarboxy substituent, in which position 5 and the aminocarboxy substituent at position 3 are connected by an aliphatic chain of varying length characterised in that the 1-hydroxy position of the phenyl ring is derivatised by an aminoalkyleneaminocarbonyl group, which alkylene group (which may optionally be substituted by alkyl groups) has a chain length of 2 or 3 carbon atoms, a phosphoric acid, or a phosphoric acid ester (such as an alkyl ester) group, or a salt thereof, and which derivatising group increases the water solubility and/or the bioavailability of the parent molecule. Such compounds are useful in therapy eg in the treatment of cancer and B-cell malignancies.
• US7776849B2
  申请人：——

  公开号：US7776849B2

  公开（公告）日：2010-08-17