phenylmethyl [6-(2-fluorophenyl)-8-(2-furanyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]carbamate | 1300087-44-8

• 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: phenylmethyl [6-(2-fluorophenyl)-8-(2-furanyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]carbamate
• 英文别名: benzyl N-[6-(2-fluorophenyl)-8-(furan-2-yl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]carbamate
• CAS: 1300087-44-8
• 化学式: C₂₉H₂₂FN₅O₃
• 分子量: 507.524
• InChiKey: KWGGPHTUVWLXSI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  38
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  94.5
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  phenylmethyl {7-bromo-5-(2-fluorophenyl)-2-[(1Z)-hydrazino]-3H-1,4-benzodiazepin-3-yl}carbamate 在 四(三苯基膦)钯 、 硫酸 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 6.0h， 生成 phenylmethyl [6-(2-fluorophenyl)-8-(2-furanyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]carbamate
  参考文献：
  名称：

  Condensed Azepine Derivatives As Bromodomain Inhibitors

  摘要：

  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。

  公开号：

  US20120202799A1

文献信息

• [EN] CONDENSED AZEPINE DERIVATIVES AS BROMODOMAIN INHIBITORS<br/>[FR] DÉRIVÉS CONDENSÉS D'AZÉPINES CONVENANT COMME INHIBITEURS DU BROMODOMAINE
  申请人：GLAXOSMITHKLINE LLC

  公开号：WO2011054844A1

  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.

  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。
• 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。
• 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：US10253044B2

  公开（公告）日：2019-04-09

  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 R1a, A, B1, B2, G, X1, Y1, Y2, and Y3 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.

  本公开提供了由式 I 表示的取代的 9H-嘧啶并[4,5-b]吲哚和 5H-嘧啶并[4,3-b]吲哚及相关类似物： 及其药学上可接受的盐、水合物和溶液，其中 R1a、A、B1、B2、G、X1、Y1、Y2 和 Y3 如说明书中所定义。本公开还涉及使用式 I 的化合物治疗对抑制 BET 溴链有反应的病症或紊乱。本公开的化合物特别适用于治疗癌症。
• 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：US20170210761A1

  公开（公告）日：2017-07-27

  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.
• US9580430B2
  申请人：——

  公开号：US9580430B2

  公开（公告）日：2017-02-28