17-allylamino-17-demethoxygeldanamycin

• 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: 17-allylamino-17-demethoxygeldanamycin
• 英文别名: 17-Aag；[(4E,6Z,10E)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate
• 化学式: C₃₁H₄₃N₃O₈
• 分子量: 585.698
• InChiKey: AYUNIORJHRXIBJ-RHCSXIAESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  42
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  166
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  geldanamycin 、 丙烯胺 以 四氢呋喃 为溶剂， 反应 4.5h， 以82.6%的产率得到17-allylamino-17-demethoxygeldanamycin
  参考文献：
  名称：

  WO2006/50373

  摘要：

  公开号：

文献信息

• Novel Ansamycin Derivatives
  申请人：Guiblin Alexander R.

  公开号：US20100279995A1

  公开（公告）日：2010-11-04

  There are provided inter alia derivatives of a benzenoid ansamycin which contain a 1,4-dihydroxyphenyl moiety bearing at position 6 an amino carboxy substituent, in which position 2 and the carboxy substituent at position 6 are connected by an aliphatic chain of varying length characterised in that one or both of the 1-hydroxy and the 4-hydroxy position(s) of the phenyl ring are independently derivatised by an aminoalkyleneaminocarbonyl group, which alkylene group, which may optionally be substituted by alkyl groups, has a chain length of 2 or 3 carbons and which derivatising group(s) increase the water solubility and/or the bioavailability of the parent molecule but which are capable of being removed in-vivo. Such compounds are described for the treatment of cancer or B-cell malignancies.

  提供了苯并氨基甲酸衍生物，其中包含一个在6号位带有氨基羧基取代基的1,4-二羟基苯基基团，其中2号位和6号位的羧基取代基由不同长度的脂肪链连接，其特征在于苯环的1-羟基和/或4-羟基位置独立地被氨基烷基氨基羧基基团衍生化，该烷基，可以选择性地被烷基取代，具有2或3个碳原子的链长，该衍生化基团增加了母体分子的水溶性和/或生物利用度，但在体内可以被去除。这些化合物用于治疗癌症或B细胞恶性肿瘤。
• Anti-Tumor Methods Using Multi Drug Resistance Independent Synthetic HSP90 Inhibitors
  申请人：Zhang Hong

  公开号：US20070105874A1

  公开（公告）日：2007-05-10

  The present invention provides a method of treating an individual having an HSP90 mediated disorder comprising administering to said individual a pharmaceutical composition comprising a pharmaceutically effective amount of a synthetic heterocyclic HSP90 inhibitor, wherein the activity of the HSP90 inhibitor is substantially independent of multi drug resistance. In one embodiment, the activity of the HSP90 inhibitor is substantially independent of P-gp and MRP expression.
• Methods and Compositions for Modulating Apoptosis
  申请人：Castro Januard E.

  公开号：US20080193928A1

  公开（公告）日：2008-08-14

  Provided are compositions and methods useful for treating and diagnosing cell proliferative disorders associated with Hsp90 and/or ZAP-70.
• Methods and Compositions for Treating Chronic Lymphocytic Leukemia
  申请人：Castro Januario E.

  公开号：US20080280878A1

  公开（公告）日：2008-11-13

  Novel method of treating chronic lymphocytic leukemia by the administering of HSP90 inhibitors, particularly ansamycins, more particularly I 7-allylamino-I 7-demethoxygetdanarnycin (17-AAG).
• PHOSPHOLIPID-BASED PHARMACEUTICAL FORMULATIONS AND METHODS FOR PRODUCING AND USING SAME
  申请人：Ulm Edgar H.

  公开号：US20090238880A1

  公开（公告）日：2009-09-24

  Pharmaceutical formulations and methods of producing and using the same are described and claimed. The formulations are dispersions of phospholipids and one or more pharmacologically active compounds, pharmaceutically acceptable salts thereof, or prodrugs thereof. In specific embodiments, the pharmaceutically active compounds are ansamycins and the overall formulation is substantially devoid of medium and long chain triglycerides.