4-benzyloxy-4'-(2-dimethylaminoethoxy)benzophenone | 176671-81-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-benzyloxy-4'-(2-dimethylaminoethoxy)benzophenone
• 英文别名: 4-Benzyloxy-4'-dimethylaminoethoxybenzophenone；[4-[2-(dimethylamino)ethoxy]phenyl]-(4-phenylmethoxyphenyl)methanone
• CAS: 176671-81-1
• 化学式: C₂₄H₂₅NO₃
• 分子量: 375.467
• InChiKey: LOFHTTSNMJWMQV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  28
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Z-methyl 3-(4-benzyloxy)phenylacrylate 、 4-benzyloxy-4'-(2-dimethylaminoethoxy)benzophenone 在 甲苯 作用下， 生成 1,2-bis(4-benzyloxyphenyl)-1-[4-[2-(N,N-dimethylamino)-ethoxy]phenyl]butan-1,4-diol
  参考文献：
  名称：

  Tri-phenyl alkene derivatives and their preparation and use

  摘要：

  该发明提供了新型化合物的公式：##STR1## 其中R.sub.1和R.sub.2可以相同或不同，为H或OH，R.sub.3为##STR2## 其中R.sub.4和R.sub.5可以相同或不同，为1至4个碳原子的烷基或H，以及它们的非毒性药学上可接受的盐和酯以及它们的混合物，这些化合物包括托瑞米芬的代谢产物，并表现出有价值的药理学特性，如雌激素、抗雌激素和孕激素作用剂。

  公开号：

  US05491173A1

文献信息

• Organometallic SERMs (selective estrogen receptor modulators): Cobaltifens, the (cyclobutadiene)cobalt analogues of hydroxytamoxifen
  作者：Kirill Nikitin、Yannick Ortin、Helge Müller-Bunz、Marie-Aude Plamont、Gérard Jaouen、Anne Vessières、Michael J. McGlinchey

  DOI：10.1016/j.jorganchem.2009.11.003

  日期：2010.2

  The McMurry coupling of (tetraphenylcyclobutadiene)cobalt(cyclopentadienyl) ketones, (C4Ph4)Co[C5H4C(=O)R], where R = Me, 3a, or Et, 3b, with a range of substituted benzophenones furnished a series of cobaltifens, organometallic analogues of tamoxifen whereby a phenyl ring has been replaced by an organo-cobalt sandwich moiety. These systems of the general formula (eta(4)-C4Ph4)Co[eta(5)-C5H4C(R)=C(Ar)Ar'], where R = Me or Et, and Ar = Ar' = p-C6H4X where X is OH, 2a and 2b, OMe, 2c and 2d, OBn, 2e and 2f, or O(CH2)(2)NMe2, 12a and 12b, and where Ar = C6H4OH and Ar' = C6H4O(CH2)(2)NMe2, 2g and 2h, have been characterised by NMR spectroscopy and/or X-ray crystallography. The effect of 2a and 2b, 2g and 2h, and 12a and 12b on the growth of MCF-7 (hormone-dependent) and MDA-MB-231 (hormone-independent breast cancer cells) was studied. The dihydroxycobaltifens 2a and 2b exhibit a strong estrogenic effect on MCF-7 cells while the aminoalkyl-hydroxycobaltifens, 2g and 2h, were found to be only slightly cytotoxic on MDA-MB-231 cells (IC50 = 27.5 and 17 mu M); surprisingly, however, the bis-(dimethylaminoethoxy) cobaltifens, 12a and 12b were shown to be highly cytotoxic towards both cell lines (IC50 = 3.8 and 2.5 mu M). (C) 2009 Elsevier B.V. All rights reserved.
• US5491173A
  申请人：——

  公开号：US5491173A

  公开（公告）日：1996-02-13