1-[4-(4-吗啉)苯基]-1H-吡咯-2,5-二酮 | 216774-38-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 中文名称: 1-[4-(4-吗啉)苯基]-1H-吡咯-2,5-二酮
• 英文名称: 1-(4-morpholinophenyl)-1H-pyrrole-2,5-dione
• 英文别名: 1-(4-Morpholinophenyl)-1H-pyrrol-2,5-dion；N-(4-morpholino-phenyl)-maleimide；1-[4-(4-Morpholinyl)phenyl]-1H-pyrrole-2,5-dione；1-(4-morpholin-4-ylphenyl)pyrrole-2,5-dione
• CAS: 216774-38-8
• 化学式: C₁₄H₁₄N₂O₃
• 分子量: 258.277
• InChiKey: NNBAXWAPIROUSM-UHFFFAOYSA-N

物化性质

• 沸点：
  470.1±40.0 °C(Predicted)
• 密度：
  1.334±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  49.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-[4-(4-吗啉)苯基]-1H-吡咯-2,5-二酮 在 sodium hydroxide 作用下， 以 水 、 甲苯 、 乙腈 为溶剂， 生成 sodium;(3'R,4'S,5'R)-5'-(3,4-dibromophenyl)-4'-[(4-morpholin-4-ylphenyl)carbamoyl]-1,3-dioxospiro[indene-2,2'-oxolane]-3'-carboxylate
  参考文献：
  名称：

  Optimization and determination of the absolute configuration of a series of potent inhibitors of human papillomavirus type-11 E1–E2 protein–protein interaction: A combined medicinal chemistry, NMR and computational chemistry approach

  摘要：

  We have previously reported the discovery and initial SAR optimization of the first series of inhibitors of the human papillomavirus type-11 (HPV11) E1-E2 protein-protein interaction. These inhibitors featured an indandione system spiro-fused onto an all syn substituted tetrahydrofuran ring. In this paper, we report new SAR efforts which have led to the identification of the first low nanomolar inhibitor of the HPV11 E1-E2 protein-protein interaction. In addition, we report a combined NMR and computational chemistry approach which allowed the successful determination of the absolute stereochernistry of the active species originating from the initial racemic lead. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.01.036

文献信息

• Inhibitors of papilloma virus
  申请人：——

  公开号：US20030064985A1

  公开（公告）日：2003-04-03

  A compound of formula (I) or its enantiomers or diastereoisomers thereof: 1 wherein: A,; X, W, R 1 , Y; R 3 ; and R 4 are as defined herein. The compounds of the invention may be used as inhibitors of the papilloma virus E1-E2-DNA complex. The invention further provides a method of treating or preventing human papilloma virus infection.

  一种具有化学式（I）或其对映体或非对映异构体的化合物： 其中：A，X，W，R1，Y，R3和R4如本文所定义。 该发明的化合物可用作乳头瘤病毒E1-E2-DNA复合物的抑制剂。该发明还提供了一种治疗或预防人类乳头瘤病毒感染的方法。
• Construction of a Polyheterocyclic Benzopyran Library with Diverse Core Skeletons through Diversity-Oriented Synthesis Pathway
  作者：Sangmi Oh、Hwan Jong Jang、Sung Kon Ko、Yeonjin Ko、Seung Bum Park

  DOI：10.1021/cc100044w

  日期：2010.7.12

  In this study, a divergent and practical solid-phase parallel diversity-oriented synthesis (DOS) strategy was successfully applied for the construction of five discrete core skeletons embedded with privileged benzopyranyl substructure. The diversity of these core skeletons was expanded through the introduction of various substituents at the R, R(1), and R(2) positions from a single key intermediate

  在这项研究中，发散和实用的固相平行分集定向合成（DOS）策略已成功地应用于构建五个嵌入有特权苯并吡喃基亚结构的离散核骨架。这些核心骨架的多样性通过在五个不同途径中的单个关键中间体在R，R（1）和R（2）位置处引入各种取代基而得到扩展。更重要的是，我们通过使用库到库的概念，通过核心骨架本身的转换来有效地最大化了分子多样性，并创建了具有相同构件的独特小分子集合。构建了一个434个成员的多杂环苯并吡喃文库，规模约为10 mg，具有进一步多样化的潜力。无需进一步纯化，
• Inhibitors of Papilloma Virus
  申请人：Yoakim Christiane

  公开号：US20060235010A1

  公开（公告）日：2006-10-19

  A compound of formula (I) or its enantiomers or diastereoisomers thereof: wherein: A, X, W, R 1 , Y; R 3 ; and R 4 are as defined herein. The compounds of the invention may be used as inhibitors of the papilloma virus E1-E2-DNA complex. The invention further provides a method of treating or preventing human papilloma virus infection.

  公式（I）或其对映体或非对映异构体的化合物：其中：A、X、W、R1、Y；R3；和R4如定义所述。本发明的化合物可用作乳头瘤病毒E1-E2-DNA复合物的抑制剂。本发明还提供了一种治疗或预防人乳头瘤病毒感染的方法。
• INHIBITORS OF PAPILLOMA VIRUS
  申请人：Yoakim Christiane

  公开号：US20100041649A1

  公开（公告）日：2010-02-18

  A compound of formula (I) or its enantiomers or diastereoisomers thereof: wherein: A, X, W, R 1 , Y; R 3 ; and R 4 are as defined herein. The compounds of the invention may be used as inhibitors of the papilloma virus E1-E2-DNA complex. The invention further provides a method of treating or preventing human papilloma virus infection.

  化合物(I)的公式或其对映体或二对映异构体：其中：A、X、W、R1、Y；R3；和R4如本文所定义。本发明的化合物可用作乳头瘤病毒E1-E2-DNA复合物的抑制剂。本发明还提供了一种用于治疗或预防人乳头瘤病毒感染的方法。
• Tricyclic compounds and their use in the treatment of cancer
  申请人：Arnér Elias Set Jenö

  公开号：US10881653B2

  公开（公告）日：2021-01-05

  There is provided compounds of formula (I), or pharmaceutically-acceptable salts thereof, wherein X, Y, Z, R1 and R2 have meanings provided in the description, which compounds are useful in the treatment of cancers.

  提供了式 (I) 的化合物或其药学上可接受的盐类，其中 X、Y、Z、R1 和 R2 的含义见说明，这些化合物可用于治疗癌症。