(E)-1-(4-methoxyphenyl)-3-(3-(trifluoromethyl)phenyl)prop-2-en-1-one

• 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: (E)-1-(4-methoxyphenyl)-3-(3-(trifluoromethyl)phenyl)prop-2-en-1-one
• 英文别名: 3-(Trifluoromethyl)-4'-methoxychalcone；(E)-1-(4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
• 化学式: C₁₇H₁₃F₃O₂
• 分子量: 306.284
• InChiKey: OEGOGTZGMYUYAH-BJMVGYQFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-三氟甲基苯甲醛 、 对甲氧基苯乙酮 在 sodium hydroxide 作用下， 以 乙醇 、 水 为溶剂， 生成 (E)-1-(4-methoxyphenyl)-3-(3-(trifluoromethyl)phenyl)prop-2-en-1-one
  参考文献：
  名称：

  经由三组分1,3-偶极环加成反应的螺[吡咯烷-2,3'-oxindole]文库的溶液相合成

  摘要：

  通过容易的分子间1,3-偶极环加成，以单化合物形式制备了26,500个螺[吡咯烷-2,3'-羟吲哚]的组合文库。由靛红1与α-氨基酸2的脱羧缩合生成的甲亚胺叶立德被反式查尔酮3捕获，从而得到具有一般结构4的杂环。代表性产品的区域和立体化学由单晶X射线结构确定。

  DOI：

  10.1016/s0040-4039(98)00234-2

文献信息

• [EN] NUCLEAR RECEPTOR MODULATORS AND THEIR USE FOR THE TREATMENT AND PREVENTION OF CANCER<br/>[FR] MODULATEURS DE RÉCEPTEURS NUCLÉAIRES ET LEUR UTILISATION POUR LE TRAITEMENT ET LA PRÉVENTION D'UN CANCER
  申请人：US HEALTH

  公开号：WO2012174436A1

  公开（公告）日：2012-12-20

  Disclosed are compounds which are nuclear receptor modulators that can act as antagonists to the androgen receptor, for example, a compound of Formula I: wherein R1 to R5 and X1 to X5 are as described herein, as well as pharmaceutically acceptable salts, solvates, and stereoisomers thereof. Pharmaceutical compositions comprising such compounds, as well as methods of use, and treatment for cancers, including prostate cancers, other nuclear receptor mediated cancers, and other conditions, are also disclosed.

  本文披露了一些化合物，它们是核受体调节剂，可以作为雄激素受体的拮抗剂，例如，公式I的化合物：其中R1至R5和X1至X5如本文所述，以及其药用盐、溶剂化合物和立体异构体。还披露了包括这些化合物的药物组合物，以及使用方法和治疗癌症，包括前列腺癌、其他核受体介导的癌症和其他疾病的方法。
• Solution phase synthesis of a spiro[pyrrolidine-2,3′-oxindole] library via a three component 1,3-dipolar cycloaddition reaction
  作者：Demosthenes Fokas、William J. Ryan、David S. Casebier、David L. Coffen

  DOI：10.1016/s0040-4039(98)00234-2

  日期：1998.4

  A combinatorial library of 26,500 spiro[pyrrolidine-2,3′-oxindoles] was prepared in a single-compound format by a facile intermolecular 1,3-dipolar cycloaddition. An azomethine ylide, generated by the decarboxylative condensation of an isatin 1 with an α-amino acid 2, was trapped by a trans-chalcone3 to afford heterocycles of the general structure 4. The regio- and stereochemistry of a representative

  通过容易的分子间1,3-偶极环加成，以单化合物形式制备了26,500个螺[吡咯烷-2,3'-羟吲哚]的组合文库。由靛红1与α-氨基酸2的脱羧缩合生成的甲亚胺叶立德被反式查尔酮3捕获，从而得到具有一般结构4的杂环。代表性产品的区域和立体化学由单晶X射线结构确定。
• Nuclear receptor modulators and their use for the treatment and prevention of cancer
  申请人：The United States of America, as represented by the Secretary, Department of Health and Human Services

  公开号：US10737995B2

  公开（公告）日：2020-08-11

  Disclosed are compounds which are nuclear receptor modulators that can act as antagonists to the androgen receptor, for example, a compound of Formula I: wherein R1 to R5 and X1 to X5 are as described herein, as well as pharmaceutically acceptable salts, solvates, and stereoisomers thereof. Pharmaceutical compositions comprising such compounds, as well as methods of use, and treatment for cancers, including prostate cancers, other nuclear receptor mediated cancers, and other conditions, are also disclosed.

  所公开的化合物是核受体调节剂，可作为雄激素受体的拮抗剂，例如，式 I 的化合物： 其中 R1 至 R5 和 X1 至 X5 如本文所述，以及其药学上可接受的盐、溶剂和立体异构体。此外，还公开了包含此类化合物的药物组合物、使用方法以及癌症（包括前列腺癌）、其他核受体介导的癌症和其他疾病的治疗方法。
• CHALCONE DERIVATIVES AS NRF2 ACTIVATORS
  申请人：Biswal Shyam

  公开号：US20140088052A1

  公开（公告）日：2014-03-27

  Compounds and methods for treating or preventing a disease, disorder or condition associated with an Nrf2-regulated pathway, including those associated with an autoimmune disease, comorbidity associated with diabetes, such as retinopathy and nephropathy, bone marrow transplant for leukemia and related cancers, bone marrow deficiencies, inborn errors of metabolism, and other immune disorders, oxidative stress, respiratory infection, ischemia, neurodegenerative disorders, radiation injury, neutropenia caused by chemotherapy, autoimmunity, and congenital neutropenic disorders, and for restoring a corticosteroid responsiveness, in a subject are provided.
• NUCLEAR RECEPTOR MODULATORS AND THEIR USE FOR THE TREATMENT AND PREVENTION OF CANCER
  申请人：Neckers Jane B.

  公开号：US20140171503A1

  公开（公告）日：2014-06-19

  Disclosed are compounds which are nuclear receptor modulators that can act as antagonists to the androgen receptor, for example, a compound of Formula I: wherein R 1 to R 5 and X 1 to X 5 are as described herein, as well as pharmaceutically acceptable salts, solvates, and stereoisomers thereof. Pharmaceutical compositions comprising such compounds, as well as methods of use, and treatment for cancers, including prostate cancers, other nuclear receptor mediated cancers, and other conditions, are also disclosed.