2-bromo-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one | 198707-82-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 二苯并环庚烯
• 英文名称: 2-bromo-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one
• 英文别名: 2-bromo-dibenzosuberone；2-bromo-10,11-dihydro-dibenzo[a,d]-cyclohepten-5-one；2-bromo-10,11-dihydro-5H-dibenzo[a,d]cycloheptan-5-one；2-Bromo-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-one；2-BromoDibenzosuberone；6-bromotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
• CAS: 198707-82-3
• 化学式: C₁₅H₁₁BrO
• 分子量: 287.156
• InChiKey: RETMCOLKYGSMIP-UHFFFAOYSA-N

物化性质

• 沸点：
  418.2±45.0 °C(Predicted)
• 密度：
  1.461±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 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：

  2-bromo-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 1.5h， 生成 2-Bromo-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ol
  参考文献：
  名称：

  Ring substituted analogues of 5-aminomethyl-10,11-dihydro-dibenzo[a,d]cycloheptene (AMDH): potential modes of binding to the 5-HT2A receptor

  摘要：

  The synthesis and 5-HT2A receptor affinities of 2-substituted-5-aminomethyl-10,11-dihydrodibenzo[a,d]cycloheptene (AMDH) derivatives are described. Comparison of the effects of substitution on affinities allowed assignment of potential binding modes in comparison with DOB-like agonists/antagonists and 3-substituted 1-(aminomethyl)-9,10-dihydroanthracene structures. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00504-3
• 作为产物：
  描述：

  3-溴苄基膦酸二乙酯 在 甲醇 、 草酰氯 、 氨 、 sodium 、 N,N-二甲基甲酰胺 作用下， 以 DMF (N,N-dimethyl-formamide) 、 二氯甲烷 、 水 为溶剂， 5.0~150.0 ℃ 、3.04 MPa 条件下， 反应 3.5h， 生成 2-bromo-10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-one
  参考文献：
  名称：

  [EN] NOVEL COMPOUNDS, THEIR PREPARATION AND USE
  [FR] NOUVEAUX COMPOSES, LEUR PREPARATION ET LEUR UTILISATION

  摘要：

  通用公式（I）的新化合物，这些化合物作为药物组成部分的用途，包括这些化合物的药物组成部分和使用这些化合物和组成部分的治疗方法。这些化合物可能在治疗和/或预防由过氧化物酶体增殖物激活受体（PPAR）介导的疾病中有用，特别是PPARδ亚型。

  公开号：

  WO2005105736A1

文献信息

• Novel Compounds, Their Preparation and Use
  申请人：Polivka Zdenek

  公开号：US20090012171A1

  公开（公告）日：2009-01-08

  Novel compounds of the general formula (I), the use of these compounds as pharmaceutical compositions, pharmaceutical compositions comprising the compounds and methods of treatment employing these compounds and compositions. The present compounds may be useful in the treatment and/or prevention of conditions mediated by Peroxisome Proliferator-Activated Receptors (PPAR), in particular the PPARδ subtype.

  通用式（I）的新化合物，这些化合物作为药物组成部分的用途，包含这些化合物的药物组成部分以及使用这些化合物和组成部分的治疗方法。这些新化合物可能在治疗和/或预防由过氧化物酶体增殖物激活受体（PPAR）介导的疾病中有用，特别是PPARδ亚型。
• Modulators of molecules with phosphotyrosine recognition units
  申请人：Novo Nordisk A/S

  公开号：US06043247A1

  公开（公告）日：2000-03-28

  The present invention relates to novel substituted acrylic acids, to methods for their preparation, compositions containing them, and their use for treatment of human and animal disorders, to their use for purification of proteins or glycoproteins, and to their use in diagnosis. The invention also relates to modulation of the activity of molecules with phospho-tyrosine recognition units, including protein tyrosine phosphatases (PTPases) and proteins with Src-homology-2 domains, in in vitro systems, microorganisms, eukaryotic cells, whole animals and human beings.

  本发明涉及新型取代丙烯酸，其制备方法，含有它们的组合物，以及它们用于治疗人类和动物疾病的用途，用于蛋白质或糖蛋白的纯化，以及在诊断中的应用。该发明还涉及通过磷酸酪氨酸识别单元调节分子活性，包括蛋白酪氨酸磷酸酶（PTPases）和具有Src同源2结构域的蛋白质，在体外系统、微生物、真核细胞、整个动物和人类中的应用。
• Compounds
  申请人：AstraZeneca U.K. Limited

  公开号：US06162808A1

  公开（公告）日：2000-12-19

  The invention relates to new pharmaceutically active compounds which are P2-purinoceptor 7-transmembrane (TM) G-protein coupled receptor antagonists, compositions containing them and processes for their preparation.

  这项发明涉及新的药用活性化合物，它们是P2-嘌呤受体7-跨膜（TM）G蛋白偶联受体拮抗剂，包含它们的组合物以及它们的制备方法。
• Novel compound and organic electronic device comprising the same
  申请人：Nichem Fine Technology Co., Ltd.

  公开号：US20170213971A1

  公开（公告）日：2017-07-27

  A novel compound is disclosed, which is represented by the following Formula (I): wherein Ar 1 , Ar 2 , Ar 3 , Ar 4 , L, Q, G, n1, n2, m1, m2 and q represent the same as defined in the specification. In addition, an organic electronic device is also disclosed, and an organic layer therein comprises the novel compound of the present invention.

  本发明揭示了一种新的化合物，其由以下式（I）表示：其中Ar1、Ar2、Ar3、Ar4、L、Q、G、n1、n2、m1、m2和q的定义与说明书中相同。此外，还揭示了一种有机电子器件，其中的有机层包括本发明的新化合物。
• COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME
  申请人：NICHEM FINE TECHNOLOGY CO., LTD.

  公开号：US20170279050A1

  公开（公告）日：2017-09-28

  Provided are a novel compound and an organic electronic device using the same. The novel compound is represented by the following Formula (I): wherein X 1 and X 2 are each independently C(R a ), and the two (R a )s are the same or different; X 3 and X 4 are each independently C(R b ), and the two (R b )s are the same or different; the two (R a )s are joined together to form an aryl ring and the two (R b )s are joined together to form an oxygen-containing heteroaryl ring, a sulfur-containing heteroaryl ring, or a polycyclic aromatic ring; wherein Y 1 and Y 2 are the same or different; Y 1 and Y 2 are each represented by NR′R″; R′ and R″ are the same or different; at least one of R′ and R″ is an aryl group.

  提供一种新型化合物和使用该化合物的有机电子器件。该新型化合物由以下式（I）表示：其中X1和X2分别独立为C（Ra），两个（Ra）相同或不同；X3和X4分别独立为C（Rb），两个（Rb）相同或不同；两个（Ra）连接在一起形成芳基环，两个（Rb）连接在一起形成含氧杂芳环、含硫杂芳环或多环芳香环；其中Y1和Y2相同或不同；Y1和Y2分别表示为NR′R″；R′和R″相同或不同；R′和R″中至少一个是芳基。