(3-chlorophenyl)(2,3-dihydro-1H-indol-7-yl)methanone | 405275-28-7

• 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: (3-chlorophenyl)(2,3-dihydro-1H-indol-7-yl)methanone
• 英文别名: (3-chlorophenyl)-(2,3-dihydro-1H-indol-7-yl)methanone
• CAS: 405275-28-7
• 化学式: C₁₅H₁₂ClNO
• 分子量: 257.719
• InChiKey: PVPKJYLINVHZCU-UHFFFAOYSA-N

物化性质

• 沸点：
  467.6±45.0 °C(Predicted)
• 密度：
  1.259±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (3-chlorophenyl)(2,3-dihydro-1H-indol-7-yl)methanone 在 manganese(IV) oxide 作用下， 以 二氯甲烷 为溶剂， 生成 (3-Chloro-phenyl)-(1H-indol-7-yl)-methanone
  参考文献：
  名称：

  Preparation and pharmacological profile of 7-(α-Azolylbenzyl)-1H-indoles and indolines as new aromatase inhibitors

  摘要：

  Aromatase (P450 arom) is a target of pharmacological interest for the treatment of breast cancer. New series of 7-(alpha-azolylbenzyl)-1H-indoles and indolines were synthesized as non-steroidal inhibitors of P450 arom. Selectivity was studied towards P450 17alpha enzyme. The most active compound, 1-ethyl-7-[(imidazol-1-yl)(4-chlorophenyl)methyl]-1H-indole 12c exhibited promising relative potency (rp) of 336 (rp, of aminoglutethimide = 1) and most of the described azoles were active and selective towards P450 arom. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00182-3
• 作为产物：
  描述：

  吲哚啉 、 3-氯苯腈 在 三氯化铝 、 三氯化硼 作用下， 以 甲苯 为溶剂， 生成 (3-chlorophenyl)(2,3-dihydro-1H-indol-7-yl)methanone
  参考文献：
  名称：

  Preparation and pharmacological profile of 7-(α-Azolylbenzyl)-1H-indoles and indolines as new aromatase inhibitors

  摘要：

  Aromatase (P450 arom) is a target of pharmacological interest for the treatment of breast cancer. New series of 7-(alpha-azolylbenzyl)-1H-indoles and indolines were synthesized as non-steroidal inhibitors of P450 arom. Selectivity was studied towards P450 17alpha enzyme. The most active compound, 1-ethyl-7-[(imidazol-1-yl)(4-chlorophenyl)methyl]-1H-indole 12c exhibited promising relative potency (rp) of 336 (rp, of aminoglutethimide = 1) and most of the described azoles were active and selective towards P450 arom. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00182-3