1-(6-Bromohexoxy)-2-chloro-4-methylbenzene | 91945-16-3

• 英文名称: 1-(6-Bromohexoxy)-2-chloro-4-methylbenzene
• CAS: 91945-16-3
• 化学式: C₁₃H₁₈BrClO
• 分子量: 305.642
• InChiKey: QOBYZZAUIULGPW-UHFFFAOYSA-N

物化性质

• 沸点：
  370.3±32.0 °C(Predicted)
• 密度：
  1.287±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3,5-二甲基异唑 、 1-(6-Bromohexoxy)-2-chloro-4-methylbenzene 在 正丁基锂 作用下， 生成 5-[7-(2-Chloro-4-methyl-phenoxy)heptyl]-3-methyl-isoxazole
  参考文献：
  名称：

  Ellipticine derivatives with an affinity to the estrogen receptor. An approach to develop intercalating drugs with a specific effect on the hormone-dependent breast cancer

  摘要：

  In order to obtain breast tumor directed agents, we have prepared mixed compounds using estradiol or (E)-clomiphene as specific vectors of the breast tissue and a DNA intercalator from the ellipticine series as the cytotoxic agent. Among the newly synthesized ellipticine derivatives, only the 2-[3-aza-5-(3,17 beta-dihydroxy-1,3,5-estratrien-17 alpha-yl)-4-oxopentamethylene]ellipticinium bromide shows the desired properties, DNA intercalation and affinity for estrogen receptor. Competition experiments with estradiol on the hormone-dependent human MCF-7 breast cancer cell line demonstrate that a transport by the estrogen receptor system is not involved in the antitumor activity of derivative 24.

  DOI：

  10.1021/jm00383a011

文献信息

• DIANA, G. D.;MCKINLAY, M. A.;BRISSON, C. J.;ZALAY, E. S.;MIRALLES, J. V.;+, J. MED. CHEM., 1985, 28, N 6, 748-752
  作者：DIANA, G. D.、MCKINLAY, M. A.、BRISSON, C. J.、ZALAY, E. S.、MIRALLES, J. V.、+

  DOI：——

  日期：——
• [EN] CELL IMPERMEABLE COELENTERAZINE ANALOGUES<br/>[FR] ANALOGUES DE COELENTÉRAZINE IMPERMÉABLES AUX CELLULES
  申请人：PROMEGA CORP

  公开号：WO2018102693A1

  公开（公告）日：2018-06-07

  Described are coelenterazine analogues, methods for making the analogues, kits comprising the analogues, and methods of using the compounds for the detection of luminescence in luciferase-based assays.