(2-amino-5-bromophenyl)(2-thienyl)methanone | 612527-00-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (2-amino-5-bromophenyl)(2-thienyl)methanone
• 英文别名: (2-amino-5-bromophenyl)(thien-2-yl)methanone；5-bromo-2-(thien-2-ylcarbonyl)-aniline；(2-Amino-5-bromophenyl)(thiophen-2-yl)methanone；(2-amino-5-bromophenyl)-thiophen-2-ylmethanone
• CAS: 612527-00-1
• 化学式: C₁₁H₈BrNOS
• 分子量: 282.161
• InChiKey: DIIWJWWQVOYGGE-UHFFFAOYSA-N

物化性质

• 沸点：
  442.3±40.0 °C(Predicted)
• 密度：
  1.607±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  71.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (2-amino-5-bromophenyl)(2-thienyl)methanone 、 乙基锂 以 四氢呋喃 为溶剂， 生成 1-(2-amino-5-bromophenyl)-1-thiophen-2-yl-propan-1-ol
  参考文献：
  名称：

  7-Aryl 1,5-dihydro-benzo[e][1,4]oxazepin-2-ones and analogs as non-steroidal progesterone receptor antagonists

  摘要：

  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.

  DOI：

  10.1016/j.bmc.2008.05.018
• 作为产物：
  描述：

  4-bromo-2-(thiophen-2-ylcarbonyl)-N-benzoyl-aniline 在 sodium hydroxide 、 乙醇 作用下， 反应 5.0h， 生成 (2-amino-5-bromophenyl)(2-thienyl)methanone
  参考文献：
  名称：

  [EN] ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS
  [FR] AGENTS ANXIOLYTIQUES A EFFETS SEDATIFS ET ATAXIQUES REDUITS

  摘要：

  公开号：

  WO2003082832A3

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。
• SELECTIVE ANTICONVULSANT AGENTS AND THEIR USES
  申请人：Cook James M.

  公开号：US20100261711A1

  公开（公告）日：2010-10-14

  In preferred embodiments, the present invention provides methods of treatment and pharmaceutical compositions for the suppression, alleviation and prevention of seizures. The preferred embodiments of the present invention further relate to methods of treatment and pharmaceutical compositions using benzodiazepine derivatives that provide suppression, alleviation and prevention of seizures with reduced sedative and ataxic side effects.

  在优选实施方式中，本发明提供了用于抑制、缓解和预防癫痫发作的治疗方法和药物组合物。本发明的优选实施方式进一步涉及使用苯二氮䓬类衍生物的治疗方法和药物组合物，该类衍生物在减少镇静和共济失调副作用的同时提供了抑制、缓解和预防癫痫发作的效果。
• STEREOSPECIFIC ANXIOLYTIC AND ANTICONVULSANT AGENTS WITH REDUCED MUSCLE-RELAXANT, SEDATIVE-HYPNOTIC AND ATAXIC EFFECTS
  申请人：Cook James M.

  公开号：US20100004226A1

  公开（公告）日：2010-01-07

  The present invention provides compositions and methods of using stereospecific benzodiazepine derivatives, their salts and prodrugs for the treatment of anxiolytic or convulsant disorders having the side effects of reduced alcohol craving in human alcoholics and a concomitant reduced sedative, hypnotic, muscle relaxant and ataxic side-effects. The invention further provides pharmaceutical compositions for treatment of anxiolytic and convulsant disorders in subjects in need thereof, comprising a compound, prodrug or a salt having a chemical structure represented by any one of Formula I-IV, VI-XI, XV-XVIII and XX-XXI and a pharmaceutically-acceptable carrier.

  本发明提供了立体特异性苯二氮平衍生物、其盐和前药的组合物及使用方法，用于治疗焦虑或惊厥性疾病，在人类酗酒者中具有减少酒精渴望的副作用，以及同时减少镇静、催眠、肌肉松弛和共济失调的副作用。本发明进一步提供了用于治疗需要该类治疗的焦虑和惊厥性疾病患者的药物组合物，包括具有化学结构的化合物、前药或盐Formula I-IV、VI-XI、XV-XVIII和XX-XXI中的任意一个，并且是药学可接受的载体。
• ANXIOLYTIC AGENTS WITH REDUCED SEDATIVE AND ATAXIC EFFECTS
  申请人：Cook M. James

  公开号：US20080108605A1

  公开（公告）日：2008-05-08

  Orally active benzodiazepine derivatives and their salts are disclosed. These compounds and their salts have anxiolytic and anticonvulsant activity with reduced sedative/hypnotic/muscle relaxant/ataxic effects.

  本发明揭示了口服活性苯二氮平衍生物及其盐。这些化合物及其盐具有抗焦虑和抗癫痫活性，同时减少镇静/催眠/肌肉松弛/共济失调等副作用。
• 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。