Ethyl-2-fluoro-4-[(5',6',7',8'-tetrahydro-5',5',8',8'-tetramethylnaphtalen-2'-yl)carbamoyl]benzoate | 191469-02-0

• 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: Ethyl-2-fluoro-4-[(5',6',7',8'-tetrahydro-5',5',8',8'-tetramethylnaphtalen-2'-yl)carbamoyl]benzoate
• 英文别名: Ethyl 2-fluoro-4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)amino]benzoate
• CAS: 191469-02-0
• 化学式: C₂₄H₂₈FNO₃
• 分子量: 397.49
• InChiKey: FJTYAJAFEYJTKK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Ethyl-2-fluoro-4-[(5',6',7',8'-tetrahydro-5',5',8',8'-tetramethylnaphtalen-2'-yl)carbamoyl]benzoate 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 生成 AGN 193312
  参考文献：
  名称：

  Synthesis and biological activity of retinoic acid receptor-α specific amides

  摘要：

  Retinoids are analogues of all-trans-retinoic acid, a powerful hormone that mediates many fundamental biological processes. Cancer and other serious hyperprolifierative diseases are attractive therapeutic targets for retinoids, but the therapeutic use of retinoids is limited due to severe toxicity. We report here the design of retinoid receptor-alpha specific ligands with growth inhibitory activity in breast cancer cell lines, and which do not cause the cutaneous toxicity associated with the currently available nonselective retinoid agonists. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00647-9
• 作为产物：
  描述：

  5,5,8,8-四甲基-5,6,7,8-四氢-2-萘羧酸 在 吡啶 、 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 生成 Ethyl-2-fluoro-4-[(5',6',7',8'-tetrahydro-5',5',8',8'-tetramethylnaphtalen-2'-yl)carbamoyl]benzoate
  参考文献：
  名称：

  Synthesis and biological activity of retinoic acid receptor-α specific amides

  摘要：

  Retinoids are analogues of all-trans-retinoic acid, a powerful hormone that mediates many fundamental biological processes. Cancer and other serious hyperprolifierative diseases are attractive therapeutic targets for retinoids, but the therapeutic use of retinoids is limited due to severe toxicity. We report here the design of retinoid receptor-alpha specific ligands with growth inhibitory activity in breast cancer cell lines, and which do not cause the cutaneous toxicity associated with the currently available nonselective retinoid agonists. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00647-9

文献信息

• Aryl or heteroaryl amides of tetrahydronaphthalene, chroman, thichroman and 1,2,3,4-tetrahydroquinolinecarboxlic acids, having an electron withdrawing substituent in the aromatic or heteroaromatic moiety, having retinoid-like biological activity
  申请人：Allergan Sales, Inc.

  公开号：US06342602B1

  公开（公告）日：2002-01-29

  Compounds of the formula wherein the symbols have the meaning defined in the specification have retinoid-like biological activity.

  该式化合物具有类视黄醇生物活性，其中符号的含义在规范中定义。