2-chloro-N-(3-chloro-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-N-methyl-acetamide | 354824-13-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-chloro-N-(3-chloro-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-N-methyl-acetamide
• 英文别名: 2-chloro-N-(3-chloro-1,4-dihydro-1,4-dioxo-2-naphthalenyl)-N-methylacetamide；2-chloro-N-(3-chloro-1,4-dioxonaphthalen-2-yl)-N-methylacetamide
• CAS: 354824-13-8
• 化学式: C₁₃H₉Cl₂NO₃
• 分子量: 298.125
• InChiKey: AFYWRNZKGGQPQP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  54.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-chloro-N-(3-chloro-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-N-methyl-acetamide 、 二甲胺 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 乙酸乙酯 为溶剂， 反应 2.0h， 以52%的产率得到2-chloro-N-(3-dimethylamino-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-N-methyl-acetamide
  参考文献：
  名称：

  Diamine derivatives of quinone and uses thereof

  摘要：

  公开了喹喔醌的二胺衍生物及相关化合物，包括其盐，这些化合物在细胞系统（如癌细胞）中调节基因表达水平，同时公开了制备这些化合物和衍生物的方法，以及含有这些化合物和衍生物作为活性成分的药物组合物。还描述了将这些化合物和衍生物用作治疗剂的方法。

  公开号：

  US20050032794A1
• 作为产物：
  描述：

  2-氯-3-(甲基氨基)萘-1,4-二酮 、 氯乙酰氯 以 1,4-二氧六环 为溶剂， 反应 16.0h， 以90%的产率得到2-chloro-N-(3-chloro-1,4-dioxo-1,4-dihydro-naphthalen-2-yl)-N-methyl-acetamide
  参考文献：
  名称：

  [EN] DERIVATIVES OF CYCLIC QUINONE AND USES THEREOF
  [FR] DERIVES DE QUINONE CYCLIQUE ET LEURS UTILISATIONS

  摘要：

  本文披露了化学试剂，例如醌衍生物及其盐，可调节细胞系统中基因表达水平，包括癌细胞，以及制备这类试剂的方法，包括含有这些试剂作为活性成分的药物组合物和使用这些试剂作为治疗剂的方法。

  公开号：

  WO2005016000A1

文献信息

• Fused imidazolium derivatives
  申请人：——

  公开号：US20030114508A1

  公开（公告）日：2003-06-19

  This invention relates to medicaments, particularly novel fused imidazolium derivatives useful for the treatment of cancers and novel synthetic intermediate compounds thereof. The novel imidazolium derivatives fused with an aryl or heteroaryl ring, characterized in that the 1- and/or 3-position is substituted by an alkyl group etc. having a substituent selected from the group consisting of —OR a , —SRa and the like, have excellent anti-tumor activity and low toxicity and are useful as anticancer agents having wide margins of safety. 1

  这项发明涉及药物，特别是用于治疗癌症的新型融合咪唑基衍生物，以及其新型合成中间化合物。这些新型咪唑基衍生物与芳基或杂环芳基环融合，其特征在于1-和/或3-位置被取代为具有从羟基、烷基等取代基中选择的取代基，具有出色的抗肿瘤活性和低毒性，并且作为具有广泛安全边界的抗癌剂而有用。
• FUSED IMIDAZOLIUM DERIVATIVES
  申请人：YAMANOUCHI PHARMACEUTICAL CO. LTD.

  公开号：EP1256576A1

  公开（公告）日：2002-11-13

  This invention relates to medicaments, particularly novel fused imidazolium derivatives useful for the treatment of cancers and novel synthetic intermediate compounds thereof. The novel imidazolium derivatives fused with an aryl or heteroaryl ring, characterized in that the 1- and/or 3-position is substituted by an alkyl group etc. having a substituent selected from the group consisting of -ORa, -SRa and the like, have excellent anti-tumor activity and low toxicity and are useful as anticancer agents having wide margins of safety.

  本发明涉及药物，特别是用于治疗癌症的新型融合咪唑鎓衍生物及其新型合成中间体化合物。 与芳基或杂芳基环融合的新型咪唑鎓衍生物，其特征在于1位和/或3位被烷基等取代，该烷基的取代基选自-ORa、-SRa等组成的组，具有优异的抗肿瘤活性和低毒性，可用作抗癌剂，具有较宽的安全范围。
• US6734203B2
  申请人：——

  公开号：US6734203B2

  公开（公告）日：2004-05-11
• [EN] DIAMINE DERIVATIVES OF QUINONE AND USES THEREOF<br/>[FR] DERIVES DE DIAMINES DE QUINONE ET LEURS UTILISATIONS
  申请人：AVALON PHARMACEUTICALS

  公开号：WO2005016264A2

  公开（公告）日：2005-02-24

  Diamine derivatives of quinones, and related compounds, including salts thereof, that modulate the levels of gene expression in cellular systems, such as cancer cells, are disclosed, along with methods for preparing such compounds and derivatives, as well as pharmaceutical compositions containing these compounds and derivatives as active ingredients. Methods of using these as compounds and derivatives as therapeutic agents are also described.
• Diamine derivatives of quinone and uses thereof
  申请人：Padia K. Janak

  公开号：US20050032794A1

  公开（公告）日：2005-02-10

  Diamine derivatives of quinones, and related compounds, including salts thereof, that modulate the levels of gene expression in cellular systems, such as cancer cells, are disclosed, along with methods for preparing such compounds and derivatives, as well as pharmaceutical compositions containing these compounds and derivatives as active ingredients. Methods of using these as compounds and derivatives as therapeutic agents are also described.

  公开了喹喔醌的二胺衍生物及相关化合物，包括其盐，这些化合物在细胞系统（如癌细胞）中调节基因表达水平，同时公开了制备这些化合物和衍生物的方法，以及含有这些化合物和衍生物作为活性成分的药物组合物。还描述了将这些化合物和衍生物用作治疗剂的方法。