8-溴-6-氯-2,3-二氢色烯-4-酮 | 890839-47-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 中文名称: 8-溴-6-氯-2,3-二氢色烯-4-酮
• 英文名称: 8-bromo-6-chloro-4H-chroman-4-one
• 英文别名: 8-bromo-6-chloro-2,3-dihydro-4H-chromen-4-one；8-bromo-6-chloro-2,3-dihydrochromen-4-one
• CAS: 890839-47-1
• 化学式: C₉H₆BrClO₂
• mdl: MFCD11207564
• 分子量: 261.502
• InChiKey: YSDPWUIFEAAHIG-UHFFFAOYSA-N

物化性质

• 沸点：
  382.8±42.0 °C(Predicted)
• 密度：
  1.721±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2914700090

反应信息

• 作为反应物：
  描述：

  8-溴-6-氯-2,3-二氢色烯-4-酮 在 sodium tetrahydroborate 、 Wilkinson's catalyst 、 氢气 、 palladium diacetate 、 caesium carbonate 、 三苯基膦 、 zinc(II) iodide 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 水 为溶剂， 生成 6-chloro-8-isopropylchromane-4-carbonitrile
  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：

  6-氯-4-二氢色原酮 在 N-溴代丁二酰亚胺(NBS) 、 硫酸 作用下， 反应 3.0h， 以99%的产率得到8-溴-6-氯-2,3-二氢色烯-4-酮
  参考文献：
  名称：

  Chromanylurea compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor and uses thereof

  摘要：

  对VR1受体拮抗剂，其化学式为(I)或其药用可接受的盐、前药或前药的盐，其中A1、A2、A3、A4、R7、R8、R9、X、Y、Z、L、n和m的定义如本文所述，并且在通过抑制VR1受体预防或改善的疾病中具有用处。

  公开号：

  US20060128689A1

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。
• Chroman and tetrahydroquinoline ureas as potent TRPV1 antagonists
  作者：Robert G. Schmidt、Erol K. Bayburt、Steven P. Latshaw、John R. Koenig、Jerome F. Daanen、Heath A. McDonald、Bruce R. Bianchi、Chengmin Zhong、Shailen Joshi、Prisca Honore、Kennan C. Marsh、Chih-Hung Lee、Connie R. Faltynek、Arthur Gomtsyan

  DOI：10.1016/j.bmcl.2011.01.056

  日期：2011.3

  Novel chroman and tetrahydroquinoline ureas were synthesized and evaluated for their activity as TRPV1 antagonists. It was found that aryl substituents on the 7- or 8-position of both bicyclic scaffolds imparted the best in vitro potency at TRPV1. The most potent chroman ureas were assessed in chronic and acute pain models, and compounds with the ability to cross the blood-brain barrier were shown to be highly efficacious. The tetrahydroquinoline ureas were found to be potent CYP3A4 inhibitors, but replacement of bulky substituents at the nitrogen atom of the tetrahydroisoquinoline moiety with small groups such as methyl can minimize the inhibition. (C) 2011 Elsevier Ltd. All rights reserved.
• 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
• EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS
  申请人：Bosmans Jean-Paul R.M.A.

  公开号：US20100280025A1

  公开（公告）日：2010-11-04

  The present invention is related to novel compounds of formula (I) having equilibrative nucleoside transporter ENT1 inhibiting properties, pharmaceutical compositions comprising these compounds, chemical processes for preparing these compounds and their use in the treatment of diseases linked to the inhibition of ENT1 receptors in animals, in particular humans.