N-({4-[(5-氯嘧啶-2-基)氧代]-3-硝基苯基}氨基甲酰)-2-硝基苯酰胺 | 103829-00-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-({4-[(5-氯嘧啶-2-基)氧代]-3-硝基苯基}氨基甲酰)-2-硝基苯酰胺
• 英文名称: N-(2-nitrobenzoyl)-N'-[4-(5-chloro-2-pyrimidinyloxy)-3-nitrophenyl]urea
• 英文别名: N-(2-nitrobenzoyl)-N'-[3-nitro-4-(5-chloro-2-pyrimidinyloxy)phenyl]urea；Benzamide, N-(((4-((5-chloro-2-pyrimidinyl)oxy)-3-nitrophenyl)amino)carbonyl)-2-nitro-；N-[[4-(5-chloropyrimidin-2-yl)oxy-3-nitrophenyl]carbamoyl]-2-nitrobenzamide
• CAS: 103829-00-1
• 化学式: C₁₈H₁₁ClN₆O₇
• 分子量: 458.774
• InChiKey: HUXRBUKWTWHLEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  185
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2-nitrobenzoyl isocyanate 生成 N-({4-[(5-氯嘧啶-2-基)氧代]-3-硝基苯基}氨基甲酰)-2-硝基苯酰胺
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Synthesis and Antitumor Activities of Novel Benzoylphenylurea Derivatives.
  作者：Hiroshi OKADA、Tohru KOYANAGI、Nobutoshi YAMDA、Takahiro HAGA

  DOI：10.1248/cpb.39.2308

  日期：——

  Seventy novel benzoylphenylurea compounds were synthesized and their antitumor activities were examined in vivo against P388 leukemia. N-(2-Nitrobenzoyl)-N'-[4-(2-pyrimidinyloxy)phenyl]ureas showed the highest antitumor activities when dosed intraperitoneally or orally. Their structure-activity relationships were examined with particular focus on the position and the variety of subsitituent on each aryl ring.

  合成了七十种新的苯甲酰苯基脲化合物，并对其在体内对P388白血病的抗肿瘤活性进行了研究。N-(2-硝基苯甲酰)-N'-[4-(2-吡啶基氧)苯基]脲在腹腔注射或口服给药时显示出最高的抗肿瘤活性。研究了它们的结构-活性关系，特别关注每个芳环上取代基的位置和种类。
• N-Benzoyl-N'-(3-Nitrophenyl) urea compounds, and antitumorous compositions containing them, and process for their preparation
  申请人：ISHIHARA SANGYO KAISHA, LTD.

  公开号：EP0178572A2

  公开（公告）日：1986-04-23

  An N-benzoyl-N'-(3-nitrophenyl) urea compound having the formula: wherein each of X, and X2 is a hydrogen atom, a halogen atom, a trifluoromethyl group or a nitro group, and Y is (wherein R is a hydrogen atom, a halogen atom or a trifluoromethyl group), provided that when Y is X, and/or X2 is a nitro group. The compound is useful as an active ingredient of an antitumorous composition.

  一种 N-苯甲酰基-N'-(3-硝基苯基)脲化合物，其式为：其中 X 和 X2 各为氢原子、卤素原子、三氟甲基或硝基，Y 为（其中 R 为氢原子、卤素原子或三氟甲基），条件是当 Y 为 X 和/或 X2 为硝基时。 该化合物可用作抗肿瘤组合物的活性成分。
• Powdery pharmaceutical compositions containing a benzoyl urea derivative
  申请人：ISHIHARA SANGYO KAISHA, LTD.

  公开号：EP0381987A1

  公开（公告）日：1990-08-16

  A powdery pharmaceutical composition comprising a benzoyl urea compound of the formula: wherein X is a halogen atom or a nitro group, Y is a hydrogen atom, a halogen atom, a nitro group or a trifluoromethyl group, Z₁ is a halogen atom or a trifluoromethyl group, Z₂ is a hydrogen atom or a halogen atom, and A is CH or a nitrogen atom, as an active ingredient, a nonionic surfactant as a dispersant, at least one member selected from the group consisting of sugar, sugar-alcohol and a nonionic surfactant as a disintegrant, and anhydrous silicic acid as a fluidizer.

  一种粉末状药物组合物，包含式中的苯甲酰脲化合物： 其中 X 是卤素原子或硝基，Y 是氢原子、卤素原子、硝基或三氟甲基，Z₁ 是卤素原子或三氟甲基，Z₂ 是氢原子或卤素原子，A 是 CH 或氮原子、作为活性成分的非离子表面活性剂，作为分散剂的非离子表面活性剂，作为崩解剂的至少一种选自糖、糖-醇和非离子表面活性剂组成的组的成员，以及作为流化剂的无水硅酸。
• Use of benzoyl urea derivatives as antiviral agents
  申请人：ISHIHARA SANGYO KAISHA LTD.

  公开号：EP0380048A2

  公开（公告）日：1990-08-01

  Use of a benzoyl urea compound of the formula: wherein X is a halogen atom or a nitro group, Y is a hydrogen atom, a halogen atom, a nitro group or a trifluoromethyl group, Z₁ is a halogen atom or a trifluoromethyl group, Z₂ is a hydrogen atom or a halogen atom, and A is CH or a nitrogen atom, or a composition containing the benzoyl urea compound of the formula I, for the manufacture of a medicament for treating an infection by virus.

  使用式中的苯甲酰脲化合物： 其中 X 是卤素原子或硝基，Y 是氢原子、卤素原子、硝基或三氟甲基，Z₁ 是卤素原子或三氟甲基，Z₂ 是氢原子或卤素原子，A 是 CH 或氮原子，或含有式 I 的苯甲酰脲化合物的组合物，用于制造治疗病毒感染的药物。
• XAGA, TAKAXIRO;YAMADA, SYUITSU;SUGI, XIDEHO;KOYANAGI, TORU;OKADA, XIROSI
  作者：XAGA, TAKAXIRO、YAMADA, SYUITSU、SUGI, XIDEHO、KOYANAGI, TORU、OKADA, XIROSI

  DOI：——

  日期：——