3-bromo-4-[(1R,2S)-1,2-diamino-2-(2-bromo-4-hydroxyphenyl)ethyl]phenol | 111086-61-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 3-bromo-4-[(1R,2S)-1,2-diamino-2-(2-bromo-4-hydroxyphenyl)ethyl]phenol
• CAS: 111086-61-4
• 化学式: C₁₄H₁₄Br₂N₂O₂
• 分子量: 402.085
• InChiKey: AHVCTWXDMXQDRJ-OKILXGFUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  92.5
• 氢给体数：
  4
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-bromo-4-[(1R,2S)-1,2-diamino-2-(2-bromo-4-hydroxyphenyl)ethyl]phenol 、 dipotassium;platinum(2+);tetrachloride 生成 3-bromo-4-[(1R,2S)-1,2-diamino-2-(2-bromo-4-hydroxyphenyl)ethyl]phenol;dichloroplatinum
  参考文献：
  名称：

  KARL, JOHANN;SCHONENBERGER, HELMUT, ARCH. PHARM., 321,(1988) N 7, C. 405-410

  摘要：

  DOI：
• 作为产物：
  描述：

  2,2'-((1R,2S)-1,2-bis(((E)-2-bromo-4-methoxybenzylidene)amino)ethane-1,2-diyl)diphenol 在 硫酸 、 氢溴酸 作用下， 以 乙腈 为溶剂， 反应 48.0h， 生成 3-bromo-4-[(1R,2S)-1,2-diamino-2-(2-bromo-4-hydroxyphenyl)ethyl]phenol
  参考文献：
  名称：

  Ring-substituted [1,2-bis(4-hydroxyphenyl)ethylenediamine]dichloroplatinum(II) complexes: compounds with a selective effect on the hormone-dependent mammary carcinoma

  摘要：

  [1,2-Bis(4-hydroxyphenyl)ethylenediamine]dichloroplatinum (II) complexes with one substituent in the 2-position (CH3, CF3, F, Cl, Br, I: meso- and d,l-1-PtCl2, meso-(3-5)-PtCl2, meso-(7 and 8)-PtCl2) or two substituents in the 2,6-positions (CH3, Cl: meso-2-PtCl2, meso- and d,l-6-PtCl2) in both benzene rings were synthesized and tested for estrogenic and cytotoxic activities. Two complexes (meso-6-PtCl2 and meso-7-PtCl2) possess both effects. In comparative tests on estrogen receptor positive and negative mammary tumors in cell culture (MCF 7, ER+ and MDA-MB 231, ER-) and in animals (MXT, ER+ and MXT, ER-, mouse), meso-6-PtCl2 shows a selective effect on the estrogen receptor positive mammary carcinoma. A further increase of efficacy was achieved with the water-soluble (sulfato)platinum(II) derivative (meso-6-PtSO4). On the DMBA-induced hormone dependent mammary carcinoma of the SD rat, meso-6-PtSO4 is significantly more active than its ligand (meso-6) and cisplatin.

  DOI：

  10.1021/jm00396a012