4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-4-acetamide, 6-(4-chlorophenyl)-N-ethyl-8-methoxy-1-methyl- | 1260530-43-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-4-acetamide, 6-(4-chlorophenyl)-N-ethyl-8-methoxy-1-methyl-
• 英文别名: 2-[6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide
• CAS: 1260530-43-5
• 化学式: C₂₂H₂₂ClN₅O₂
• 分子量: 423.9
• InChiKey: AAAQFGUYHFJNHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  81.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-4-acetamide, 6-(4-chlorophenyl)-N-ethyl-8-methoxy-1-methyl- 生成 GSK 525762A; (4S)-6-(4-氯苯基)-N-乙基-8-甲氧基-1-甲基-4H-[1,2,4]三唑并[4,3-a][1,4]苯并二氮杂卓-4-乙酰胺
  参考文献：
  名称：

  J. Med. Chem. 2011, 54, 3827-3838

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(6-(4-氯苯基)-8-甲氧基-1-甲基-4H-苯并[F][1,2,4]三唑并[4,3-Α][ 以85的产率得到4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-4-acetamide, 6-(4-chlorophenyl)-N-ethyl-8-methoxy-1-methyl-
  参考文献：
  名称：

  J. Med. Chem. 2011, 54, 3827-3838

  摘要：

  DOI：

文献信息

• [EN] BENZODIAZEPINE BROMODOMAIN INHIBITOR<br/>[FR] INHIBITEUR DE BROMODOMAINES VIS-À-VIS DE LA BENZODIAZÉPINE
  申请人：GLAXOSMITHKLINE LLC

  公开号：WO2011054845A1

  公开（公告）日：2011-05-12

  Benzodiazepine compounds of formula (I), and salts thereof, pharmaceutical compositions containing such compounds and their use in therapy, in particular in the treatment of diseases or conditions for which a bromodomain inhibitor is indicated.

  苯二氮卓类化合物的化学式（I）及其盐，含有这类化合物的药物组合物以及它们在治疗中的应用，特别是在治疗溴结构域抑制剂适应症的疾病或症状。
• 9H-PYRIMIDO[4,5-B]INDOLES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS
  申请人：THE REGENTS OF THE UNIVERSITY OF MICHIGAN

  公开号：US20150246923A1

  公开（公告）日：2015-09-03

  The present disclosure provides substituted 9H-pyrimido[4,5-b]indoles and 5H-pyrido[4,3-b]indoles and related analogs represented by Formula I: and the pharmaceutically acceptable salts, hydrates, and solvates thereof, wherein R 1a , A, B 1 , B 2 , G, X 1 , Y 1 , Y 2 , and Y 3 are as defined as set forth in the specification. The present disclosure is also directed to the use of compounds of Formula I to treat a condition or disorder responsive to inhibition of BET bromodomains. Compounds of the present disclosure are especially useful for treating cancer.

  本公开提供了代表为式I的替代的9H-嘧啶并[4,5-b]吲哚和5H-吡啶并[4,3-b]吲哚及相关类似物的药用可接受的盐、水合物和溶剂合物，其中R1a、A、B1、B2、G、X1、Y1、Y2和Y3如规范中所定义。本公开还涉及使用式I的化合物来治疗对BET溴结构域抑制敏感的状况或疾病。本公开的化合物特别适用于治疗癌症。
• [EN] METHODS AND COMPOSITIONS FOR INHIBITION OF BROMODOMAIN-CONTAINING PROTEINS<br/>[FR] PROCÉDÉS ET COMPOSITIONS POUR L'INHIBITION DE PROTÉINES CONTENANT UN BROMODOMAINE
  申请人：CONVERGENE LLC

  公开号：WO2014159837A1

  公开（公告）日：2014-10-02

  The present invention relates to compounds that bind to and otherwise modulate the activity of bromodomain-containing proteins, to processes for preparing these compounds, to pharmaceutical compositions containing these compounds, and to methods of using these compounds for treating a wide variety of conditions and disorders.

  本发明涉及结合并调节含溴结构域蛋白活性的化合物，以及制备这些化合物的方法、含有这些化合物的药物组合物，以及利用这些化合物治疗各种疾病和疾病的方法。
• Benzodiazepine Bromodomain Inhibitor
  申请人：Bailey James

  公开号：US20120252781A1

  公开（公告）日：2012-10-04

  Benzodiazepine compounds of formula (I) and salts thereof, pharmaceutical compositions containing such compounds and their use in therapy.

  公式（I）的苯二氮平化合物及其盐，含有这种化合物的制药组合物以及它们在治疗中的使用。
• METHODS AND COMPOSITIONS FOR INHIBITION OF BROMODOMAIN-CONTAINING PROTEINS
  申请人：VANKAYALAPATI Hariprasad

  公开号：US20160024096A1

  公开（公告）日：2016-01-28

  The present invention relates to compounds that bind to and otherwise modulate the activity of bromodomain-containing proteins, to processes for preparing these compounds, to pharmaceutical compositions containing these compounds, and to methods of using these compounds for treating a wide variety of conditions and disorders.

  本发明涉及结合并调节含有溴域的蛋白质活性的化合物，以及制备这些化合物的方法，包括含有这些化合物的药物组合物和使用这些化合物治疗各种疾病和疾病的方法。