5-Bromo-7-chloro-3,4-dihydronaphthalen-1(2H)-one | 1260018-38-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 5-Bromo-7-chloro-3,4-dihydronaphthalen-1(2H)-one
• 英文别名: 5-bromo-7-chloro-3,4-dihydro-2H-naphthalen-1-one
• CAS: 1260018-38-9
• 化学式: C₁₀H₈BrClO
• 分子量: 259.53
• InChiKey: SHOTVTQZHPADGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  5-Bromo-7-chloro-3,4-dihydronaphthalen-1(2H)-one 在 盐酸 、 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium fluoride 、 tetraphosphorus decasulfide 、 水 、 四氯化钛 作用下， 以 甲醇 、 二甲基亚砜 为溶剂， 生成 2-[(3-chloro-5,5-dimethyl-7,8-dihydro-6H-naphthalen-1-yl)methyl]-4,5-dihydro-1H-imidazole;hydrochloride
  参考文献：
  名称：

  Discovery of potent α1L-adrenoceptor agonists: Design and synthesis of bicyclic derivatives

  摘要：

  We aimed to create a novel and potent alpha(1L)-adrenoceptor agonist because such agonists are possible drug candidates for stress urinary incontinence. We used ligand-based drug design and evaluated the alpha(1L)-adrenoceptor agonist activity of the designed compounds. Among them, tetrahydroquinoline derivative 50 showed the most potent activity (ratio of noradrenaline half maximal effective concentration, 0.0028) and effectively induced contraction of rat bladder neck. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.05.049
• 作为产物：
  描述：

  4-(4-氯苯基)丁酸 在 aluminum (III) chloride 、 gold(III) chloride 、 N-溴代丁二酰亚胺(NBS) 、 氯化亚砜 作用下， 以 二氯甲烷 、 1,2-二氯乙烷 为溶剂， 生成 5-Bromo-7-chloro-3,4-dihydronaphthalen-1(2H)-one
  参考文献：
  名称：

  Discovery of potent α1L-adrenoceptor agonists: Design and synthesis of bicyclic derivatives

  摘要：

  We aimed to create a novel and potent alpha(1L)-adrenoceptor agonist because such agonists are possible drug candidates for stress urinary incontinence. We used ligand-based drug design and evaluated the alpha(1L)-adrenoceptor agonist activity of the designed compounds. Among them, tetrahydroquinoline derivative 50 showed the most potent activity (ratio of noradrenaline half maximal effective concentration, 0.0028) and effectively induced contraction of rat bladder neck. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.05.049

文献信息

• [EN] AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF<br/>[FR] DÉRIVÉS D'AMINOMÉTHYL-BIARYL EN TANT QU'INHIBITEURS DU FACTEUR D DU COMPLÉMENT ET LEURS UTILISATIONS
  申请人：NOVARTIS AG

  公开号：WO2015009977A1

  公开（公告）日：2015-01-22

  The present invention provides a compound of formula (I), a method for manufacturing the compounds of the invention, and its therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.

  本发明提供了一种公式(I)的化合物，一种制造本发明化合物的方法及其治疗用途。本发明进一步提供了一种药物活性剂的组合物和一种药物组合物。
• Aminomethyl-Biaryl Derivatives Complement Factor D inhibitors and uses thereof
  申请人：BELANGER David B.

  公开号：US20160145247A1

  公开（公告）日：2016-05-26

  The present invention provides a compound of formula (I), a method for manufacturing the compounds of the invention, and its therapeutic uses. The present invention further provides a combination of pharmacologically active agents and a pharmaceutical composition.

  本发明提供了一种公式（I）的化合物，一种制造本发明化合物的方法及其治疗用途。本发明还提供了一种药理活性剂的组合物和制药组合物。
• AMINOMETHYL-BIARYL DERIVATIVES AS COMPLEMENT FACTOR D INHIBITORS AND USES THEREOF
  申请人：Novartis AG

  公开号：EP3022182A1

  公开（公告）日：2016-05-25
• Discovery of potent α1L-adrenoceptor agonists: Design and synthesis of bicyclic derivatives
  作者：Shinya Suzuki、Tsubasa Okano、Rie Horiuchi、Nana Hareyama、Kazutoshi Amikura、Naoyoshi Yamamoto、Yoshitaka Yoshizawa、Mai Yagi、Kanako Serizawa、Ryoji Hayashi

  DOI：10.1016/j.bmcl.2015.05.049

  日期：2015.8

  We aimed to create a novel and potent alpha(1L)-adrenoceptor agonist because such agonists are possible drug candidates for stress urinary incontinence. We used ligand-based drug design and evaluated the alpha(1L)-adrenoceptor agonist activity of the designed compounds. Among them, tetrahydroquinoline derivative 50 showed the most potent activity (ratio of noradrenaline half maximal effective concentration, 0.0028) and effectively induced contraction of rat bladder neck. (C) 2015 Elsevier Ltd. All rights reserved.