2-bromo-1-(2-methyl-naphthalen-1-yl)-ethanone | 583859-97-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-bromo-1-(2-methyl-naphthalen-1-yl)-ethanone
• 英文别名: 1-(α-bromo)acetyl-2-methylnaphthalene；2-Bromo-1-(2-methylnaphthalen-1-yl)ethanone
• CAS: 583859-97-6
• 化学式: C₁₃H₁₁BrO
• 分子量: 263.134
• InChiKey: OBQWZCOXZMFLMK-UHFFFAOYSA-N

物化性质

• 沸点：
  363.8±17.0 °C(Predicted)
• 密度：
  1.425±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 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-1-(2-methyl-naphthalen-1-yl)-ethanone 、 sodium acetate 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 acetic acid 2-(2-methyl-naphthalen-1-yl)-2-oxo-ethyl ester
  参考文献：
  名称：

  [EN] 5-HT2B RECEPTOR ANTAGONISTS
  [FR] ANTAGONISTES DU RECEPTEUR DE LA 5-HT2B

  摘要：

  公开号：

  WO2005097113A3
• 作为产物：
  描述：

  2-methyl-1-acetonaphthone 在 苯基三甲基溴化铵 作用下， 以 四氢呋喃 为溶剂， 生成 2-bromo-1-(2-methyl-naphthalen-1-yl)-ethanone
  参考文献：
  名称：

  [EN] 5-HT2B RECEPTOR ANTAGONISTS
  [FR] ANTAGONISTES DU RECEPTEUR DE LA 5-HT2B

  摘要：

  公开号：

  WO2005097113A3

文献信息

• 5-HT2B receptor antagonists
  申请人：——

  公开号：US20040010022A1

  公开（公告）日：2004-01-15

  The present invention relates to compounds of formula I: 1 wherein one of R 1 and R 4 is selected from the group consisting of H, and optionally substituted C 1-6 alkyl, C 3-7 cycloalkyl, C 3-7 cycloalkyl-C 1-4 alkyl, and phenyl-C 1-4 alkyl; and the other of R 1 and R 4 is an optionally substituted C 9-14 aryl group; R 2 and R 3 are either: (i) independently selected from H, R, R′, SO 2 R, C(═O)R, (CH 2 ) n NR 5 R 6 , where n is from 1 to 4 and R 5 and R 6 are independently selected from H and R, where R is optionally substituted C 1-4 alkyl, and R′ is optionally substituted phenyl-C 1-4 alkyl, or (ii) together with the nitrogen atom to which they are attached, form an optionally substituted C 5-7 heterocyclic group; and their use as pharmaceuticals, in particular for treating conditions alleviated by the antagonism of a 5-HT 2B receptor.

  本发明涉及公式I的化合物： 1 其中R 1 和R 4 之一选自由H、以及可选地取代的C 1-6 烷基、C 3-7 环烷基、C 3-7 环烷基-C 1-4 烷基和苯基-C 1-4 烷基组成的组；R 1 和R 4 的另一个是可选地取代的C 9-14 芳基基团；R 2 和R 3 是： (i)独立地选自H、R、R′、SO 2 R、C(═O)R、(CH 2 ) n NR 5 R 6 ，其中n是从1到4，R 5 和R 6 独立地选自H和R，其中R是可选地取代的C 1-4 烷基，R′是可选地取代的苯基-C 1-4 烷基，或 (ii)与它们连接的氮原子一起，形成一个可选地取代的C 5-7 杂环基团；以及它们作为药物的使用，特别用于治疗通过5-HT 2B 受体的拮抗作用减轻的状况。
• 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS
  申请人：ASTERAND UK LIMITED

  公开号：EP1474140B1

  公开（公告）日：2007-11-21
• ALANINE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE
  申请人：Arvinas, Inc.

  公开号：US20170037004A1

  公开（公告）日：2017-02-09

  The description relates to Inhibitors of Apoptosis Proteins (IAPs) binding compounds, including bifunctional compounds comprising the same, which find utility as modulators of targeted ubiquitination, especially inhibitors of a variety of polypeptides and other proteins which are degraded and/or otherwise inhibited by bifunctional compounds according to the present invention. In particular, the description provides compounds, which contain on one end a ligand which binds to the IAP E3 ubiquitin ligase and on the other end a moiety which binds a target protein such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of that protein. Compounds can be synthesized that exhibit a broad range of pharmacological activities consistent with the degradation/inhibition of targeted polypeptides of nearly any type.
• US7429607B2
  申请人：——

  公开号：US7429607B2

  公开（公告）日：2008-09-30