N-hydroxy-3-[4-({[2-(tert-butyldimethylsilanyloxy)-ethyl]-[2-(1H-indol-3-yl)-ethyl]-amino}-methyl)-phenyl]-(2E)-2-propenamide | 404951-57-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: N-hydroxy-3-[4-({[2-(tert-butyldimethylsilanyloxy)-ethyl]-[2-(1H-indol-3-yl)-ethyl]-amino}-methyl)-phenyl]-(2E)-2-propenamide
• 英文别名: (E)-3-[4-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(1H-indol-3-yl)ethyl]amino]methyl]phenyl]-N-hydroxyprop-2-enamide
• CAS: 404951-57-1
• 化学式: C₂₈H₃₉N₃O₃Si
• 分子量: 493.721
• InChiKey: QBEOMRKQJMKORW-CCEZHUSRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.75
• 重原子数：
  35
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  77.6
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-hydroxy-3-[4-({[2-(tert-butyldimethylsilanyloxy)-ethyl]-[2-(1H-indol-3-yl)-ethyl]-amino}-methyl)-phenyl]-(2E)-2-propenamide 生成 达西司特
  参考文献：
  名称：

  HYDROXAMATE DERIVATIVES USEFUL AS DEACETYLASE INHIBITORS

  摘要：

  公开号：

  EP1318980A2
• 作为产物：
  描述：

  methyl 3-[4-({[2-(tert-butyl-dimethyl-silanyloxy)-ethyl]-[2-(1H-indol-3-yl)-ethyl]-amino}-methyl)-phenyl]-acrylate 生成 N-hydroxy-3-[4-({[2-(tert-butyldimethylsilanyloxy)-ethyl]-[2-(1H-indol-3-yl)-ethyl]-amino}-methyl)-phenyl]-(2E)-2-propenamide
  参考文献：
  名称：

  HYDROXAMATE DERIVATIVES USEFUL AS DEACETYLASE INHIBITORS

  摘要：

  公开号：

  EP1318980A2

文献信息

• Rapid method for screening compounds for in vivo activity
  申请人：——

  公开号：US20040067540A1

  公开（公告）日：2004-04-08

  The present invention provides a rapid method for screening potentially pharmaceutically useful compounds for activity in vivo. The method has the steps of growing a target cell into which a reporter gene was introduced in a biocompatible, semipermeable encapsulation device; implanting the semi-permeable encapsulation device into a subject; administering a potentially pharmaceutically active compound to said subject; removing said encapsulation device from said subject after in vivo exposure to the potentially pharmaceutically active compound and evaluating said target cell for reaction to said potentially paharmaceutically active compound by measuring the expression of said reporter gene.

  本发明提供了一种快速筛选潜在药用化合物在体内活性的方法。该方法包括以下步骤：将报告基因引入到一个靶细胞中，并将该细胞生长于一种生物相容的半透性封装装置中；将该半透性封装装置植入到一个受试者体内；向该受试者施用一种潜在药用活性化合物；在该潜在药用活性化合物在体内暴露后，将该封装装置从该受试者体内移除，并通过测量该报告基因的表达来评估该靶细胞对该潜在药用活性化合物的反应。
• Cyclooxygenase-2 inhibitor/histone deacetylase inhibitor combination
  申请人：Chen Pan Ying-Nan

  公开号：US20050032899A1

  公开（公告）日：2005-02-10

  The invention relates to a combination which comprises (a) a cyclooxygenase-2 inhibitor (“COX-2 inhibitor”) and (b) a histone deacetylase inhibitor (“HDAI”) for simultaneous, concurrent, separate or sequential use, especially for use in the treatment of pre-malignant colon lesions or a colon cancer or other malignancies in a mammal, particularly a human. The invention also relates to pharmaceutical compositions comprising such a combination and to a method of treating pre-malignant colon lesions (e.g. polyps) and colon cancer, as well as other malignancies, in a mammal, particularly a human, with such a combination. The present invention further also relates to a commercial package or product comprising such a combination.

  本发明涉及一种组合物，包括(a)环氧合酶-2抑制剂（“COX-2抑制剂”）和(b)组蛋白去乙酰化酶抑制剂（“HDAI”），用于同时、并行、分离或顺序使用，特别是用于治疗哺乳动物，特别是人类的癌前结肠病变或结肠癌或其他恶性肿瘤。本发明还涉及包括这种组合物的制药组合物以及使用这种组合物治疗癌前结肠病变（例如息肉）和结肠癌以及其他恶性肿瘤的方法，特别是在哺乳动物，特别是人类中。本发明还涉及包含这种组合物的商业包装或产品。
• CYCLOOXYGENASE-2 INHIBITOR/HISTONE DEACETYLASE INHIBITOR COMBINATION
  申请人：Chen Ying-Nan Pan

  公开号：US20080227845A1

  公开（公告）日：2008-09-18

  The invention relates to a combination which comprises (a) a cyclooxygenase-2 inhibitor (“COX-2 inhibitor”) and (b) a histone deacetylase inhibitor (“HDAI”) for simultaneous, concurrent, separate or sequential use, especially for use in the treatment of pre-malignant colon lesions or a colon cancer or other malignancies in a mammal, particularly a human. The invention also relates to pharmaceutical compositions comprising such a combination and to a method of treating pre-malignant colon lesions (e.g. polyps) and colon cancer, as well as other malignancies, in a mammal, particularly a human, with such a combination. The present invention further also relates to a commercial package or product comprising such a combination.

  本发明涉及一种组合物，包括（a）环氧合酶-2抑制剂（“COX-2抑制剂”）和（b）组蛋白去乙酰化酶抑制剂（“HDAI”），用于同时、并行、分离或顺序使用，特别是用于治疗哺乳动物，特别是人类的癌前结肠病变或结肠癌或其他恶性肿瘤。本发明还涉及包含这种组合物的制药组合物，以及使用这种组合物治疗癌前结肠病变（例如息肉）和结肠癌以及其他恶性肿瘤的方法。本发明还涉及包含这种组合物的商业包装或产品。
• WO2007/21682
  申请人：——

  公开号：——

  公开（公告）日：——
• HYDROXAMATE DERIVATIVES USEFUL AS DEACETYLASE INHIBITORS
  申请人：Novartis AG

  公开号：EP1318980A2

  公开（公告）日：2003-06-18