methyl 8-(5-(2,4-bis(benzyloxy)-5-chlorophenyl)-4-(4-methoxyphenyl)isoxazole-3-carboxamido)octanoate | 1012059-82-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃
• 英文名称: methyl 8-(5-(2,4-bis(benzyloxy)-5-chlorophenyl)-4-(4-methoxyphenyl)isoxazole-3-carboxamido)octanoate
• 英文别名: Methyl 8-[[5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-4-(4-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]octanoate
• CAS: 1012059-82-3
• 化学式: C₄₀H₄₁ClN₂O₇
• 分子量: 697.228
• InChiKey: KJZUUQAHHYMVQJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  50
• 可旋转键数：
  19
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  109
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• HSP90 INHIBITORS CONTAINING A ZINC BINDING MOIETY
  申请人：Qian Changgeng

  公开号：US20090076006A1

  公开（公告）日：2009-03-19

  The present invention relates to HSP90 inhibitors containing a zinc binding moiety and their use in the treatment of cell proliferative diseases such as cancer. The said derivatives may further act as HDAC inhibitors.

  本发明涉及含有锌结合基团的HSP90抑制剂及其在治疗细胞增殖性疾病如癌症中的应用。所述衍生物还可能作为HDAC抑制剂。
• Multi-Functional Small Molecules as Anti-Proliferative Agents
  申请人：Cai Xiong

  公开号：US20080221132A1

  公开（公告）日：2008-09-11

  The present invention relates to the compositions, methods, and applications of a novel approach to selective inhibition of several cellular or molecular targets with a single small molecule. More specifically, the present invention relates to multi-functional small molecules wherein one functionality is capable of inhibiting histone deacetylases (HDAC) and the other functionality is capable of inhibiting a different cellular or molecular pathway involved in aberrant cell proliferation, differentiation or survival.

  本发明涉及一种新型选择性抑制多种细胞或分子靶点的组合物、方法和应用。更具体地说，本发明涉及多功能小分子，其中一种功能能够抑制组蛋白去乙酰化酶（HDAC），另一种功能能够抑制与异常细胞增殖、分化或存活有关的不同细胞或分子途径。
• MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS
  申请人：Curis, Inc.

  公开号：EP2061772A2

  公开（公告）日：2009-05-27
• [EN] MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS<br/>[FR] PETITES MOLÉCULES MULTIFONCTIONNELLES SERVANT D'AGENTS ANTI-PROLIFÉRATIFS
  申请人：CURIS INC

  公开号：WO2008033747A2

  公开（公告）日：2008-03-20

  (EN) The present invention relates to the compositions, methods, and applications of a novel approach to selective inhibition of several cellular or molecular targets with a single small molecule. More specifically, the present invention relates to multi-functional small molecules wherein one functionality is capable of inhibiting histone deacetylases (HDAC) and the other functionality is capable of inhibiting a different cellular or molecular pathway involved in aberrant cell proliferation, differentiation or survival.(FR) L'invention concerne des compositions, des procédés, et des applications d'une approche nouvelle permettant d'effectuer une inhibition sélective de plusieurs cibles cellulaires ou moléculaires à l'aide d'une seule petite molécule. En particulier, l'invention concerne de petites molécules multifonctionnelles présentant une fonction d'inhibition d'histone désacétylases (HDAC) et une autre fonction permettant d'inhiber une voie cellulaire ou moléculaire différente impliquée dans une prolifération cellulaire aberrante, dans une différenciation cellulaire aberrante ou dans une survie cellulaire aberrante.
• [EN] HSP90 INHIBITORS CONTAINING A ZINC BINDING MOIETY<br/>[FR] INHIBITEURS DE HSP90 CONTENANT UNE FRACTION DE LIAISON AU ZINC
  申请人：CURIS INC

  公开号：WO2009036012A1

  公开（公告）日：2009-03-19

  The present invention relates to HSP90 inhibitors containing a zinc binding moiety and their use in the treatment of cell proliferative diseases such as cancer. The said derivatives may further act as HDAC inhibitors.