2-Bromo-1-(4-methoxy-phenyl)-3-(4-nitro-phenyl)-propane-1,3-dione

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 2-Bromo-1-(4-methoxy-phenyl)-3-(4-nitro-phenyl)-propane-1,3-dione
• 英文别名: 2-bromo-1-(4-methoxyphenyl)-3-(4-nitrophenyl)propane-1,3-dione
• 化学式: C₁₆H₁₂BrNO₅
• 分子量: 378.179
• InChiKey: KAMZLSSJPRSTIW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  89.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-Bromo-1-(4-methoxy-phenyl)-3-(4-nitro-phenyl)-propane-1,3-dione 在 palladium on activated charcoal 氢气 作用下， 以 乙酸乙酯 为溶剂， 20.0 ℃ 、310.26 kPa 条件下， 以31%的产率得到1-(4-Amino-phenyl)-2-bromo-3-(4-methoxy-phenyl)-propane-1,3-dione
  参考文献：
  名称：

  Antitumor Agents. Part 214:††For paper 213, see ref 1. Synthesis and Evaluation of Curcumin Analogues as Cytotoxic Agents

  摘要：

  Fifty-eight curcumin analogues were prepared and evaluated for in vitro cytotoxicity against a panel of human tumor cell lines. Compound 50 was the most potent analogue against several cell lines, including HOS (bone cancer) and 1A9 (breast cancer), with ED50 values of 0.97 and <0.63 mug/mL, respectively. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(02)00249-3

文献信息

• NOVEL CURCUMIN ANALOGUES AND USES THEREOF
  申请人：Lee Kuo-Hsiung

  公开号：US20080146660A1

  公开（公告）日：2008-06-19

  The present invention relates to compounds capable of acting as androgen receptor antagonists, pharmaceutical formulations containing the same, and methods of use thereof. Such uses include, but are not limited to, use as antitumor agents, particularly for the treatment of cancers such as colon, skin and prostate cancer and to induce androgen receptor antagonist activity in a subject afflicted with an androgen-related affliction. Examples of androgen-related afflictions include, but are not limited to, baldness, hirsutism, behavioral disorders, acne, and uninhibited spermatogenesis wherein inhibition of spermatogenesis is so desired.

  本发明涉及能够作为雄激素受体拮抗剂的化合物、包含这些化合物的制药配方以及它们的使用方法。这些用途包括但不限于作为抗肿瘤剂，特别是用于治疗结肠癌、皮肤癌和前列腺癌等癌症，并在患有与雄激素相关的疾病的人体中诱导雄激素受体拮抗剂活性。雄激素相关疾病的例子包括但不限于脱发、多毛症、行为障碍、痤疮以及无节制的精子生成，其中需要抑制精子生成。
• THERAPEUTIC COMPOSITIONS COMPRISING A COMBINATION OF A HARMINE AND ISOVANILLIN COMPONENT
  申请人：Ions Pharmaceutical S.À R.L.

  公开号：EP3275465A1

  公开（公告）日：2018-01-31

  Human therapeutic treatment compositions comprise the combination of at least one harmine component, and at least one isovanillin component, wherein the components of the composition are different. The compositions are effective for the treatment of human conditions, especially human cancers.

  人类治疗组合物由至少一种禾本科成分和至少一种异香兰素成分组合而成，其中组合物的成分各不相同。这些组合物可有效治疗人类疾病，尤其是人类癌症。
• HUMAN THERAPEUTIC AGENTS
  申请人：Ankh Life Sciences Limited

  公开号：EP3188721B1

  公开（公告）日：2019-06-12
• THERAPEUTIC COMPOSITIONS CONTAINING HARMINE AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF
  申请人：Ions Pharmaceutical S.à r.l.

  公开号：US20170042866A1

  公开（公告）日：2017-02-16

  Human therapeutic treatment compositions comprise at least two of a curcumin component, a harmine component, and an isovanillin component, and preferably all three in combination. The agents are effective for the treatment of human conditions, especially human cancers.
• THERAPEUTIC COMPOSITIONS CONTAINING CURCUMIN, HARMINE, AND ISOVANILLIN COMPONENTS, AND METHODS OF USE THEREOF
  申请人：Ions Pharmaceutical S.à r.l.

  公开号：US20170042865A1

  公开（公告）日：2017-02-16

  Human therapeutic treatment compositions comprise at least two of a curcumin component, a harmine component, and an isovanillin component, and preferably all three in combination. The agents are effective for the treatment of human conditions, especially human cancers.