2'-chlorochrysin | 111397-72-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 2'-chlorochrysin
• 英文别名: 2-(2-Chlorophenyl)-5,7-dihydroxychromen-4-one
• CAS: 111397-72-9
• 化学式: C₁₅H₉ClO₄
• 分子量: 288.687
• InChiKey: NHPGJRDBKLHEAL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2'-chlorochrysin 在 氢氧化钾 、 tin chloride hydrate 、 硝酸 、 溶剂黄146 、 N,N-二异丙基乙胺 作用下， 以 乙醇 、 二氯甲烷 、 水 为溶剂， 反应 9.25h， 生成 N-[2-(2-chlorophenyl)-5,7-dihydroxy-4-oxo-4Hchromen-8-yl]benzamide
  参考文献：
  名称：

  Design, synthesis, and antiproliferative and CDK2-cyclin a inhibitory activity of novel flavopiridol analogues

  摘要：

  The design and synthesis of a small library of 8-amidoflavone, 8-sulfonamidoflavone, 8-amido-7-hydroxyflavone, and heterocyclic analogues of flavopiridol is reported. The potential activity of these compounds as kinase inhibitors was evaluated by cytotoxicity studies in MCF-7 and ID-8 cancer cell lines and inhibition of CDK2-Cyclin A enzyme activity in vitro. The anti-proliferative and CDK2-Cyclin A inhibitory activity of these analogues was significantly lower than the activity of flavopiridol. Molecular docking simulations were carried out and these studies suggested a different binding orientation inside the CDK2 binding pocket for these analogues compared to flavopiridol. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.10.063
• 作为产物：
  描述：

  2,4,6-三羟基苯乙酮一水合物 在 吡啶 、 4-二甲氨基吡啶 、 氢氧化钾 作用下， 反应 6.5h， 生成 2'-chlorochrysin
  参考文献：
  名称：

  Design, synthesis, and antiproliferative and CDK2-cyclin a inhibitory activity of novel flavopiridol analogues

  摘要：

  The design and synthesis of a small library of 8-amidoflavone, 8-sulfonamidoflavone, 8-amido-7-hydroxyflavone, and heterocyclic analogues of flavopiridol is reported. The potential activity of these compounds as kinase inhibitors was evaluated by cytotoxicity studies in MCF-7 and ID-8 cancer cell lines and inhibition of CDK2-Cyclin A enzyme activity in vitro. The anti-proliferative and CDK2-Cyclin A inhibitory activity of these analogues was significantly lower than the activity of flavopiridol. Molecular docking simulations were carried out and these studies suggested a different binding orientation inside the CDK2 binding pocket for these analogues compared to flavopiridol. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2006.10.063

文献信息

• [EN] ALVOCIDIB PRODRUGS AND THEIR USE AS PROTEIN KINASE INHIBITORS<br/>[FR] PROMÉDICAMENTS DE L'ALVOCIDIB ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE PROTÉINES KINASES
  申请人：TOLERO PHARMACEUTICALS INC

  公开号：WO2018094275A1

  公开（公告）日：2018-05-24

  Compounds having the following structure (I) or a stereoisomer, tautomer or pharmaceutically acceptable salt thereof, wherein R1, R2 and R3 are as defined herein, and wherein at least one of R1, R2 and R3 is not H, are provided. Pharmaceutical compositions comprising the compounds and methods for use of the compounds for treating diseases associated with overexpression of a cyclin-dependent kinase (CDK) are also provided.

  提供具有以下结构（I）或其立体异构体、互变异构体或药学上可接受的盐的化合物，其中R1、R2和R3如本文所定义，并且其中至少一个R1、R2和R3不是H。还提供了包含这些化合物的药物组合物以及使用这些化合物治疗与细胞周期依赖性激酶（CDK）过度表达相关疾病的方法。
• CHEN, JUN-JIE;YANG, WEI-WEN;PAN, XIN-FU;LI, YU-LIN;TAN, ZHEN, ACTA CHIM. SIN., 45,(1987) N 5, 503-505
  作者：CHEN, JUN-JIE、YANG, WEI-WEN、PAN, XIN-FU、LI, YU-LIN、TAN, ZHEN

  DOI：——

  日期：——
• ISOTHIOCYANATE FUNCTIONAL COMPOUNDS AUGMENTED WITH SECONDARY ANTINEOPLASTIC MEDICAMENTS AND ASSOCIATED METHODS FOR TREATING NEOPLASMS
  申请人：Silver Michael E.

  公开号：US20200030277A1

  公开（公告）日：2020-01-30

  A formulation, including: (a) a first medicament, wherein the first medicament includes an isothiocyanate functional compound/surfactant; and (b) a second medicament, wherein the second medicament includes an antineoplastic agent, such as a cytotoxic antineoplastic agent and/or a targeted antineoplastic agent.
• [EN] IMIDAZOPYRAZINES AS PROTEIN KINASE INHIBITORS<br/>[FR] IMIDAZOPYRAZINES EN TANT QU'INHIBITEURS DE PROTÉINES KINASES
  申请人：SCHERING CORP

  公开号：WO2010088368A2

  公开（公告）日：2010-08-05

  In its many embodiments, the present invention provides a novel class of imidazopyrazine compounds as inhibitors of protein and/or checkpoint kinases, methods of preparing such compounds, pharmaceutical compositions including one or more such compounds, methods of preparing pharmaceutical formulations including one or more such compounds, and methods of treatment, prevention, inhibition, or amelioration of one or more diseases associated with the protein or checkpoint kinases using such compounds or pharmaceutical compositions.
• Design, synthesis, and antiproliferative and CDK2-cyclin a inhibitory activity of novel flavopiridol analogues
  作者：Yu Mi Ahn、Lakshminarayana Vogeti、Chun-Jing Liu、Hari K.R. Santhapuram、Jonathan M. White、Veena Vasandani、Lester A. Mitscher、Gerald H. Lushington、Paul R. Hanson、Douglas R. Powell、Richard H. Himes、Katherine F. Roby、Qizhuang Ye、Gunda I. Georg

  DOI：10.1016/j.bmc.2006.10.063

  日期：2007.1

  The design and synthesis of a small library of 8-amidoflavone, 8-sulfonamidoflavone, 8-amido-7-hydroxyflavone, and heterocyclic analogues of flavopiridol is reported. The potential activity of these compounds as kinase inhibitors was evaluated by cytotoxicity studies in MCF-7 and ID-8 cancer cell lines and inhibition of CDK2-Cyclin A enzyme activity in vitro. The anti-proliferative and CDK2-Cyclin A inhibitory activity of these analogues was significantly lower than the activity of flavopiridol. Molecular docking simulations were carried out and these studies suggested a different binding orientation inside the CDK2 binding pocket for these analogues compared to flavopiridol. (c) 2006 Elsevier Ltd. All rights reserved.