1-(phenylsulfonyl)-3-isopropylindole | 108666-00-8

• 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: 1-(phenylsulfonyl)-3-isopropylindole
• 英文别名: 3-isopropyl-1-(phenylsulfonyl)-1H-indole；1-(Benzenesulfonyl)-3-propan-2-ylindole
• CAS: 108666-00-8
• 化学式: C₁₇H₁₇NO₂S
• 分子量: 299.393
• InChiKey: SISCMFSNGGZIQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  47.4
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-propylzinc bromide lithium chloride 、 3-溴-(1-苯磺酰)吲哚 在 [1,3-bis(2,6-diisoheptylphenyl)-4,5-dichloroimidazol-2-ylidene](3-chloropyridyl)palladium(II) dichloride 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 1.08h， 生成 1-(phenylsulfonyl)-3-isopropylindole
  参考文献：
  名称：

  使用Pd-PEPPSI-IHeptCl将二级烷基锌试剂选择性偶联到五元环杂环上

  摘要：

  交联仲烷基中心的能力存在许多问题，包括难以进行的还原性消除，这通常导致β-氢化物消除。尽管据报道，催化剂可以为预期的（未重排）与芳基或杂芳基氧化加成伙伴交叉偶联的产物提供良好的选择性，但没有一种催化剂对五元环杂环显示出可靠的选择性。在本报告中，证明了一种经过合理设计的新型催化剂Pd-PEPPSI-IHept Cl可有效地与多种烷基呋喃，噻吩和苯并稠合衍生物（例如，吲哚，苯并呋喃），在大多数情况下，首次生产的清洁产品的迁移量极小（如果有的话）。

  DOI：

  10.1002/anie.201503941

文献信息

• CLASS- AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF
  申请人：Mazitschek Ralph

  公开号：US20120208889A1

  公开（公告）日：2012-08-16

  HDAC inhibitors of the general formula (I) and (II) and pharmaceutically acceptable salts thereof, as described herein, are useful as inhibitors of histone deacetylases or other deacetylases, and thus are useful for the treatment of various diseases and disorders associated with acetylase/deacetylase activity as described herein (e.g., cancer). In certain embodiments, the compounds of the invention selectively target either a class or isoform of the HDAC family. Another aspect of the invention provides an assay for determining the inhibitory effect of a test compound on an HDAC protein comprising: incubating the HDAC protein with a substrate of general formula (IIIc) in the presence of a test compound; and determining the activity of the HDAC protein.

  本文描述的具有一般式（I）和（II）及其药学上可接受的盐的HDAC抑制剂，可用作组蛋白去乙酰化酶或其他去乙酰化酶的抑制剂，并因此可用于治疗与去乙酰化酶/乙酰化酶活性相关的各种疾病和疾病，如本文所述（例如癌症）。在某些实施例中，本发明的化合物有选择性地靶向HDAC家族的一类或同工酶。本发明的另一个方面提供了一种测定试验化合物对HDAC蛋白质抑制作用的测定方法，包括：在试验化合物的存在下，将HDAC蛋白质与一般式（IIIc）的底物孵育，并确定HDAC蛋白质的活性。
• EBNA1 inhibitors and their method of use
  申请人：THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY

  公开号：US10421718B2

  公开（公告）日：2019-09-24

  Pharmaceutical compositions of the invention comprise EBNA1 inhibitors useful for the treatment of diseases caused by EBNA1 activity such as cancer, infectious mononucleosis, chronic fatigue syndrome, multiple sclerosis, systemic lupus erythematosus and rheumatoid arthritis. Pharmaceutical compositions of the invention also comprise EBNA1 inhibitors useful for the treatment of diseases caused by latent Epstein-Barr Virus (EBV) infection. Pharmaceutical compositions of the invention also comprise EBNA1 inhibitors useful for the treatment of diseases caused by lytic Epstein-Barr Virus (EBV) infection.

  本发明的药物组合物包括 EBNA1 抑制剂，可用于治疗由 EBNA1 活性引起的疾病，如癌症、传染性单核细胞增多症、慢性疲劳综合征、多发性硬化症、系统性红斑狼疮和类风湿性关节炎。本发明的药物组合物还包括用于治疗潜伏性爱泼斯坦-巴氏病毒（EBV）感染引起的疾病的 EBNA1 抑制剂。本发明的药物组合物还包括用于治疗由溶解性爱泼斯坦-巴氏病毒（EBV）感染引起的疾病的EBNA1抑制剂。
• Aryl-substituted imidazoles
  申请人：St. Jude Children's Research Hospital

  公开号：US10647702B2

  公开（公告）日：2020-05-12

  The compounds of the invention are antagonists of MDM2 and MDMX, with excellent specificity for MDM2 and MDMX over other proteins, and with selective binding affinity to MDMX over MDM2. The compounds can therefore regulate p53 activity and treat a variety of cancers. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  本发明的化合物是 MDM2 和 MDMX 的拮抗剂，对 MDM2 和 MDMX 的特异性优于其他蛋白，对 MDMX 的结合亲和力优于 MDM2。因此，这些化合物可以调节 p53 的活性，治疗各种癌症。本摘要旨在作为在特定技术领域进行搜索的扫描工具，并非对本发明的限制。
• Unusual reactions of magnesium indolates with benzenesulfonyl chloride
  作者：Ernest Wenkert、Peter D. R. Moeller、Serge R. Piettre、Andrew T. McPhail

  DOI：10.1021/jo00391a044

  日期：1987.7
• CLASS-AND ISOFORM-SPECIFIC HDAC INHIBITORS AND USES THEREOF
  申请人：President and Fellows of Harvard College

  公开号：US20170267630A1

  公开（公告）日：2017-09-21

  HDAC inhibitors of the general formula (I) and (II) and pharmaceutically acceptable salts thereof, as described herein, are useful as inhibitors of histone deacetylases or other deacetylases, and thus are useful for the treatment of various diseases and disorders associated with acetylase/deacetylase activity as described herein (e.g., cancer). In certain embodiments, the compounds of the invention selectively target either a class or isoform of the HDAC family. Another aspect of the invention provides an assay for determining the inhibitory effect of a test compound on an HDAC protein comprising: incubating the HDAC protein with a substrate of general formula (IIIc) in the presence of a test compound; and determining the activity of the HDAC protein.