5-Nitroquinoxalin-2-one | 55687-20-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 5-Nitroquinoxalin-2-one
• 英文别名: 5-nitro-1H-quinoxalin-2-one
• CAS: 55687-20-2
• 化学式: C₈H₅N₃O₃
• 分子量: 191.146
• InChiKey: UAOPAFZNFXQWIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  87.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-Nitroquinoxalin-2-one 在 三氟甲磺酸 、 sodium hydride 、 三氟乙酸 作用下， 以 四氢呋喃 、 苯甲醚 为溶剂， 生成 9-Nitro-5H-imidazo[1,5-a]quinoxalin-4-one
  参考文献：
  名称：

  Synthesis and SAR of novel imidazoquinoxaline-Based Lck inhibitors: improvement of cell potency

  摘要：

  A series of anilino(imidazoquinoxaline) analogues bearing solubilizing side chains at the 6- and 7-positions of the fused phenyl ring has been prepared and evaluated for inhibition against Lck enzyme and of T-cell proliferation. Significant improvement of the cellular activity was achieved over the initial lead, compound 2. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00677-7
• 作为产物：
  描述：

  乙醛酸乙酯 、 3-硝基邻苯二胺 以 乙醇 为溶剂， 以37%的产率得到5-Nitroquinoxalin-2-one
  参考文献：
  名称：

  Reaction of quinoxalin-2-ones with TosMIC reagent: synthesis of imidazo[1,5-a]quinoxalin-4-ones

  摘要：

  Imidazo[1,5-alpha ]quinoxalin-4-ones were prepared in four steps starting from 1,2-phenylenediamines using a new strategy for the construction of the ring system. A key step in this new method involves the reaction of quinoxalin-2-ones with TosMIC (tosylmethyl isocyanide). (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(01)00697-9

文献信息

• Novel quinoxalinone derivatives
  申请人：Hirai Hiroshi

  公开号：US20060019959A1

  公开（公告）日：2006-01-26

  A quinoxalinone derivative of the formula (I): or a pharmaceutically acceptable salt or ester thereof, wherein; X is NH, S or the like; Y is O or the like; the partial structure is, for example, the formula: B 1 , B 2 , . . . , B n-1 and B n , (in which n is 4, 5 or 6) are each independently CH, N or the like; B′ 1 , B′ 2 , . . . , B′ n-1 and B′ n (in which n is 4, 5 or 6) are each independently hydrogen or the like; and R is hydrogen, lower alkyl or the like.

  公式（I）的喹喔啉酮衍生物，或其药学上可接受的盐或酯，其中：X为NH，S或类似物；Y为O或类似物；部分结构为，例如，公式：B1，B2，...，Bn-1和Bn（其中n为4，5或6）分别独立地为CH，N或类似物；B'1，B'2，...，B'n-1和B'n（其中n为4，5或6）分别独立地为氢或类似物；以及R为氢，较低的烷基或类似物。
• Quinoxalinone derivatives
  申请人：Banyu Pharmaceutical Co., Ltd.

  公开号：US07388010B2

  公开（公告）日：2008-06-17

  A quinoxalinone derivative of the formula (I): or a pharmaceutically acceptable salt or ester thereof, wherein; X is NH, S or the like; Y is O or the like; the partial structure is, for example, the formula: B1, B2, . . . , Bn−1 and Bn, (in which n is 4, 5 or 6) are each independently CH, N or the like; B′1, B′2, . . . , B′n−1 and B′n (in which n is 4, 5 or 6) are each independently hydrogen or the like; and R is hydrogen, lower alkyl or the like.

  化合物的式子为(I)的喹喔啉酮衍生物，或其药学上可接受的盐或酯，其中：X为NH，S或类似物；Y为O或类似物；部分结构为，例如，式子：B1，B2，...，Bn-1和Bn（其中n为4，5或6）各自独立地为CH，N或类似物；B'1，B'2，...，B'n-1和B'n（其中n为4，5或6）各自独立地为氢或类似物；以及R为氢，较低烷基或类似物。
• NOVEL QUINOXALINE DERIVATIVES
  申请人：BANYU PHARMACEUTICAL CO., LTD.

  公开号：EP1557418A1

  公开（公告）日：2005-07-27

  A quinoxalinone derivative of the formula (I): or a pharmaceutically acceptable salt or ester thereof, wherein;    X is NH, S or the like;    Y is O or the like;    the partial structure is, for example, the formula:    B1, B2, ....., Bn-1 and Bn, (in which n is 4 , 5 or 6) are each independently CH, N or the like;    B'1, B'2, ....., B'n-1 and B'n (in which n is 4, 5 or 6) are each independently hydrogen or the like; and    R is hydrogen, lower alkyl or the like.

  式（I）的喹喔啉酮衍生物： 或其药学上可接受的盐或酯，其中 X 是 NH、S 或类似物 Y 是 O 或类似物； 部分结构 例如为式 B1、B2、.....、Bn-1 和 Bn，（其中 n 为 4、5 或 6）各自独立地为 CH、N 或类似物； B'1、B'2、.....、B'n-1 和 B'n（其中 n 为 4、5 或 6）各自独立地为氢或类似物；以及 R 是氢、低级烷基或类似物。
• US7388010B2
  申请人：——

  公开号：US7388010B2

  公开（公告）日：2008-06-17
• Reaction of quinoxalin-2-ones with TosMIC reagent: synthesis of imidazo[1,5-a]quinoxalin-4-ones
  作者：Ping Chen、Joel C. Barrish、Edwin Iwanowicz、James Lin、Mark S. Bednarz、Bang-Chi Chen

  DOI：10.1016/s0040-4039(01)00697-9

  日期：2001.6

  Imidazo[1,5-alpha ]quinoxalin-4-ones were prepared in four steps starting from 1,2-phenylenediamines using a new strategy for the construction of the ring system. A key step in this new method involves the reaction of quinoxalin-2-ones with TosMIC (tosylmethyl isocyanide). (C) 2001 Elsevier Science Ltd. All rights reserved.