1-(溴甲基)-4-(2-氯乙氧基)苯 | 198481-13-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(溴甲基)-4-(2-氯乙氧基)苯
• 英文名称: 1-Bromomethyl-4-(2-chloro-ethoxy)-benzene
• 英文别名: 4-(2-chloroethoxy)-benzylbromide；4-(2-chloroethoxy)benzyl bromide；4-(2-Chloroethoxy)benzylbromide；1-(Bromomethyl)-4-(2-chloroethoxy)benzene
• CAS: 198481-13-9
• 化学式: C₉H₁₀BrClO
• 分子量: 249.535
• InChiKey: XVSPLOURGZKUKR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 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：

  1-(溴甲基)-4-(2-氯乙氧基)苯 在 (R)-2-methyl-CBS-oxazaboroline 、 sodium hydride 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 19.0h， 生成
  参考文献：
  名称：

  Estrogen receptor ligands. Part 16: 2-Aryl indoles as highly subtype selective ligands for ERα

  摘要：

  A novel class of indole ligands for estrogen receptor alpha have been discovered which exhibit potent affinity and high selectivity. Substitution of the bazedoxifene skeleton to the linker present in the HTS lead 1a provided 22b which was found to be 130-fold alpha-selective and acted as an antagonist of estradiol activity in uterine tissue and MCF-7 cancer cells.

  DOI：

  10.1016/j.bmcl.2007.01.054
• 作为产物：
  描述：

  (4-(2-chloroethoxy)phenyl)methan-1-ol 在 二溴亚砜 作用下， 以 1,4-二氧六环 为溶剂， 反应 0.08h， 以58%的产率得到1-(溴甲基)-4-(2-氯乙氧基)苯
  参考文献：
  名称：

  BENZOCARBAZOLE AND INDENOINDOLE DERIVED ESTROGENIC AGENTS

  摘要：

  公开号：

  EP1082319B1

文献信息

• Benzoxazepine derivatives as selective estrogen receptor modulators
  申请人：Lanter C. James

  公开号：US20060040917A1

  公开（公告）日：2006-02-23

  The present invention is directed to novel benzoxazepine derivatives, pharmaceutical compositions containing them and their use in the treatment of disorders and diseases mediated by an estrogen receptor.

  本发明涉及新型苯并噁唑啉衍生物，含有它们的药物组合物以及它们在治疗由雌激素受体介导的疾病和疾病中的应用。
• [EN] NOVEL N-SUBSTITUTED DIHYDROBENZOTHIEPINO, DIHYDROBENZOXEPINO AND TETRAHYDRO BENZOCYCLOHEPTA INDOLES AS SELECTIVE ESTROGEN RECEPTOR MODULATORS<br/>[FR] NOUVEAUX DIHYDROBENZOTHIEPINO, DIHYDROBENZOXEPINO ET TETRAHYDRO BENZOCYCLOHEPTA INDOLES N-SUBSTITUES UTILISES EN TANT QUE MODULATEURS DU RECEPTEUR DES OESTROGENES
  申请人：COUNCIL SCIENT IND RES

  公开号：WO2005094833A1

  公开（公告）日：2005-10-13

  The invention provides a novel class of N-substituted dihydrobenzothiepino, dihydrobenzoxepino and tetrahydro benzocyclohepta indoles of Formula (I) and their pharmaceutically acceptable salts, and methods for of synthesizing these compounds. The invention further comprises pharmaceutical compositions and methods of use for these compounds for the treatment of estrogen related diseases or disorders.

  这项发明提供了一类新型的Formula (I)的N-取代二氢苯并噻吩、二氢苯并氧吩和四氢苯并环庚哌啉以及它们的药用盐，以及合成这些化合物的方法。该发明还包括用于治疗雌激素相关疾病或紊乱的这些化合物的药用组合物和使用方法。
• 2-phenyl-1-[4-(2-aminoethoxy)-benzyl]-indoles as estrogenic agents
  申请人：American Home Products Corporation

  公开号：US05998402A1

  公开（公告）日：1999-12-07

  The present invention relates to new 2-Phenyl-1-[4-(2-Aminoethoxy)-Benzyl]-Indole compounds which are useful as estrogenic agents, as well as pharmaceutical compositions and methods of treatment utilizing these compounds, which have the general structures below: ##STR1##

  本发明涉及新的2-苯基-1-[4-(2-氨基乙氧基)-苄基]-吲哚化合物，这些化合物可用作雌激素类药物，以及利用这些化合物的药物组合物和治疗方法，其具有以下一般结构：##STR1##
• 2-phenyl-1-&lsqb;4-(2-aminoethoxy)-benzyl&rsqb;-indole and estrogen formulations
  申请人：Wyeth

  公开号：US06479535B1

  公开（公告）日：2002-11-12

  The present invention relates to new formulations containing one or more estrogens and 2-Phenyl-1-[4-(2-Aminoethoxy)-Benzyl]-Indole compounds which are useful as estrogenic agents, as well as pharmaceutical compositions and methods of treatment utilizing these compounds, which have the general structures below:

  本发明涉及含有一种或多种雌激素和2-苯基-1-[4-(2-氨基乙氧基)-苄基]-吲哚化合物的新配方，这些化合物可用作雌激素类药剂，以及利用这些化合物的药物组合物和治疗方法，其具有以下一般结构：
• Design, synthesis and biological evaluation of hydrazone derivatives as anti-proliferative agents
  作者：Ravi Shankar、Ravindra K. Rawal、Uma S. Singh、Preeti Chaudhary、Rituraj Konwar、Kanchan Hajela

  DOI：10.1007/s00044-017-1866-1

  日期：2017.7

  A series of triaryl-substituted hydrazones as structural acyclic prototypes were synthesized and screened for anti-proliferative activity against breast (Michigan cancer foundation-7 and MD Anderson metastatic breast-231) and uterine cancer (Ishikawa) cell lines. Two compounds were found to be the most active, 5e showed the maximum inhibition of both functional estrogen receptor containing Michigan

  合成了一系列作为结构无环原型的三芳基取代的azo，并针对乳腺癌（密歇根州癌症基金会7和MD安德森转移性乳腺癌231）和子宫癌细胞（石川）的抗增殖活性进行了筛选。发现两种化合物活性最高，5e对含有功能性雌激素受体的密歇根州癌症基金会7细胞（IC 50：7.8 µM）和石川细胞（IC 50：7.3 µM）具有最大抑制作用，而化合物5i具有选择性对ER阴性的MD Anderson转移性乳腺癌231细胞最活跃（IC 50：4.7 µM）。5e的抑制作用 乳腺癌和子宫癌中的细胞是由于ER拮抗作用，也受到分子对接研究的支持。