(2-amino-5-bromophenyl)(dithien-2-yl)methanol | 865670-94-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2-amino-5-bromophenyl)(dithien-2-yl)methanol
• 英文别名: (2-amino-5-bromophenyl)-dithiophen-2-ylmethanol
• CAS: 865670-94-6
• 化学式: C₁₅H₁₂BrNOS₂
• 分子量: 366.302
• InChiKey: WYNBHSBWUPVGIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  溴乙酰氯 、 (2-amino-5-bromophenyl)(dithien-2-yl)methanol 生成 2-bromo-N-{4-bromo-2-[hydroxy(dithien-2-yl)methyl]phenyl}acetamide
  参考文献：
  名称：

  7-Aryl 1,5-Dihydro-4,1-Benzoxazepin-2(3H)-One Derivatives And Their Use As Progesterone Receptor Modulators

  摘要：

  此发明提供了具有以下结构的孕激素受体调节剂： 其中R1至R7、X和Q如说明书中所定义；或其药学上可接受的盐。

  公开号：

  US20080139530A1
• 作为产物：
  描述：

  2-噻吩基锂 、 5-溴氨基苯甲酸甲酯 生成 (2-amino-5-bromophenyl)(dithien-2-yl)methanol
  参考文献：
  名称：

  7-Aryl 1,5-Dihydro-4,1-Benzoxazepin-2(3H)-One Derivatives And Their Use As Progesterone Receptor Modulators

  摘要：

  此发明提供了具有以下结构的孕激素受体调节剂： 其中R1至R7、X和Q如说明书中所定义；或其药学上可接受的盐。

  公开号：

  US20080139530A1

文献信息

• 7-aryl 1,5-dihydro-4, 1-benzoxazepin-2(3H)-one derivatives and their use as progesterone receptor modulators
  申请人：Zhang Puwen

  公开号：US20050215539A1

  公开（公告）日：2005-09-29

  This invention provides progesterone receptor modulators having the structure: wherein R 1 to R 7 , X, and Q are as defined in the specification; or a pharmaceutically acceptable salt thereof.

  这项发明提供了具有以下结构的孕激素受体调节剂：其中R1至R7、X和Q如规范中所定义；或其药用可接受盐。
• 1,5-Dihydro-benzo[e][1,4]oxazepin-2(1H)-ones containing a 7-(5′-cyanopyrrol-2-yl) group as nonsteroidal progesterone receptor modulators
  作者：Jeffrey C. Kern、Eugene A. Terefenko、Andrew Fensome、Ray Unwalla、Jay Wrobel、Jeffrey Cohen、Yuan Zhu、Thomas J. Berrodin、Matthew R. Yudt、Richard C. Winneker、Zhiming Zhang、Puwen Zhang

  DOI：10.1016/j.bmcl.2008.08.015

  日期：2008.9

  A series of novel 7-(5'-cyanopyrrol-2-yl) substituted benzo[1,4]oxazepin-2-ones were prepared and tested for their progesterone receptor (PR) agonist or antagonist activity in the alkaline phosphatase assay using the human T47D breast carcinoma cell line. Both PR agonists and antagonists were achieved with an appropriate choice of 5-substitution. Several analogs were potent PR agonists (e.g., 12 and

  制备了一系列新型的7-（5'-氰基吡咯-2-基）取代的苯并[1,4]恶唑啉-2-酮，并使用人T47D乳腺癌细胞系。PR激动剂和拮抗剂均可通过选择5取代来实现。几种类似物是有效的PR激动剂（例如12和13）或PR拮抗剂（例如18），对其他类固醇受体具有良好的选择性。
• 7-Aryl 1,5-Dihydro-4,1-Benzoxazepin-2(3H)-One Derivatives and Their Use As Progesterone Receptor Modulators
  申请人：Zhang Puwen

  公开号：US20080113964A1

  公开（公告）日：2008-05-15

  This invention provides progesterone receptor modulators having the structure: wherein R 1 to R 7 , X, and Q are as defined in the specification; or a pharmaceutically acceptable salt thereof.

  这项发明提供了具有以下结构的孕激素受体调节剂： 其中R1到R7，X和Q如规范中所定义；或其药学上可接受的盐。
• 7-aryl 1,5-dihydro-4,1-benzoxazepin-2(3H)-one derivatives and their use as progesterone receptor modulators
  申请人：Wyeth

  公开号：US07323455B2

  公开（公告）日：2008-01-29

  This invention provides progesterone receptor modulators having the structure: wherein R1 to R7, X, and Q are as defined in the specification; or a pharmaceutically acceptable salt thereof.

  这项发明提供了具有以下结构的孕激素受体调节剂：其中R1到R7，X和Q如规范中所定义；或其药学上可接受的盐。
• 7-Aryl 1,5-dihydro-benzo[e][1,4]oxazepin-2-ones and analogs as non-steroidal progesterone receptor antagonists
  作者：Puwen Zhang、Jeffrey C. Kern、Eugene A. Terefenko、Andrew Fensome、Ray Unwalla、Zhiming Zhang、Jeffrey Cohen、Thomas J. Berrodin、Matthew R. Yudt、Richard C. Winneker

  DOI：10.1016/j.bmc.2008.05.018

  日期：2008.7.1

  Novel 7-aryl benzo[1,4]oxazepin-2-ones were synthesized and evaluated as non-steroidal progesterone receptor (PR) modulators. The structure activity relationship of 7-aryl benzo[1,4]oxazepinones was examined using the T47D cell alkaline phosphatase assay. A number of 7-aryl benzo[1,4] oxazepinones such as 10j and 10v demonstrated good in vitro potency (IC(50) of 10-30 nM) and selectivity (over 100-fold) at PR over other steroidal receptors such as glucocorticoid and androgen receptors (GR and AR). Several 7-aryl benzo[ 1,4] oxazepinones were active in the rat uterine decidualization model. In this in vivo model, compounds 10j and 10u were active at 3 mg/kg when dosed orally. (c) 2008 Elsevier Ltd. All rights reserved.