4-chloro-2-methoxy-6-nitrophenol | 118724-89-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-chloro-2-methoxy-6-nitrophenol
• CAS: 118724-89-3
• 化学式: C₇H₆ClNO₄
• 分子量: 203.582
• InChiKey: ZQIWFXNPHQZWEH-UHFFFAOYSA-N

物化性质

• 熔点：
  102-103 °C
• 沸点：
  284.8±35.0 °C(Predicted)
• 密度：
  1.500±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  75.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-chloro-2-methoxy-6-nitrophenol 在 platinum on activated charcoal 氢氧化钾 、 氢气 作用下， 以 乙醇 、 乙酸乙酯 为溶剂， 生成 5-chloro-7-methoxy-2-mercaptobenzoxazole
  参考文献：
  名称：

  Regulatory molecules for the 5-HT3 receptor ion channel gating system

  摘要：

  Substituted benzoxazole derivatives which possess a nitrogen containing heterocycle at C2 are selective partial agonists of the 5-HT3 receptor. Alteration of substituents on the benzoxazole nucleus affords both agonist-like and antagonist-like compounds, and uniquely modifies the function of the 5-HT3 receptor ion channel gating system. SAR and corroborative computational docking study for these partial agonists successfully explained structure and function of the 5-HT3 receptor. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.02.054
• 作为产物：
  描述：

  4-氯-2-甲氧基苯酚 在 硝酸 、 溶剂黄146 作用下， 反应 1.0h， 以41%的产率得到4-chloro-2-methoxy-6-nitrophenol
  参考文献：
  名称：

  Der Zugang zum抗肿瘤-抗生物素CC-1065手套

  摘要：

  在抗肿瘤抗生素的三个亚基的访问CC - 1065通过异柯普乙烯基重排ñ -Phenylhydroxamates。

  DOI：

  10.1002/hlca.19890720717

文献信息

• [EN] UREA DERIVATIVES AND THEIR USE AS FATTY-ACID BINDING PROTEIN (FABP) INHIBITORS<br/>[FR] DÉRIVÉS D'URÉE ET LEUR UTILISATION EN TANT QU'INHIBITEURS DE LA PROTÉINE DE LIAISON À UN ACIDE GRAS (FABP)
  申请人：HOFFMANN LA ROCHE

  公开号：WO2014146994A1

  公开（公告）日：2014-09-25

  The invention provides novel compounds having the general formula (I) wherein R1, R2, R3, R4, W, A and B are as described herein, compositions including the compounds and methods of using the compounds.

  该发明提供了具有一般式（I）的新化合物，其中R1、R2、R3、R4、W、A和B如本文所述，包括这些化合物的组合物和使用这些化合物的方法。
• Synthesis of some novel potent and selective catechol O-methyltransferase inhibitors
  作者：Reijo Backstrom、Erkki Honkanen、Aino Pippuri、Pekka Kairisalo、Jarmo Pystynen、Kalevi Heinola、Erkki Nissinen、Inge Britt Linden、Pekka T. Mannisto

  DOI：10.1021/jm00124a017

  日期：1989.4

  A series of disubstituted catechol derivatives was synthesized and tested as potential COMT inhibitors. The most active compounds were more than 1000 times more potent (IC50 = 3-6 nM) in vitro than the known COMT inhibitor, 3',4'-dihydroxy-2-methylpropiophenone (U 0521, IC50 = 6000 nM). The new compounds were also highly selective COMT inhibitors with no activity against other essential enzymes involved

  合成了一系列二取代的邻苯二酚衍生物，并测试了其作为潜在的COMT抑制剂的能力。活性最高的化合物在体外的效价（IC50 = 3-6 nM）比已知的COMT抑制剂3'，4'-二羟基-2-甲基苯乙酮（U 0521，IC50 = 6000 nM）高出1000倍以上。新化合物也是高度选择性的COMT抑制剂，对儿茶酚胺的合成和代谢中涉及的其他必需酶没有活性。
• UREA DERIVATIVES AND THEIR USE AS FATTY-ACID BINDING PROTEIN (FABP) INHIBITORS
  申请人：Hoffmann-La Roche Inc.

  公开号：US20160185795A1

  公开（公告）日：2016-06-30

  The invention provides novel compounds having the general formula (I) wherein R 1 , R 2 , R 3 , R 4 , W, A and B are as described herein, compositions including the compounds and methods of using the compounds.

  本发明提供了具有一般式（I）的新化合物，其中R1、R2、R3、R4、W、A和B如本文所述，包括这些化合物的组合物和使用这些化合物的方法。
• Benzoxazole derivatives and drugs containing the same as the active ingredient
  申请人：Koichi Shudo

  公开号：US07045516B1

  公开（公告）日：2006-05-16

  A compound represented by the following general formula (1): wherein R1 represents a halogen atom, R2 represents hydrogen atom or a lower alkyl group, and R3 represents hydrogen atom, a lower alkyl group, a lower alkoxyl group, a hydroxy lower alkyl group, a halogen atom, or a substituted or unsubstituted amino group, wherein a substituent on the amino group is selected from the group consisting of a lower alkyl group, a lower alkenyl group, a lower alkylcarbonyl group, and an amino protective group, or a salt thereof. The compound of the present invention or a salt thereof is useful as an active ingredient of medicaments for preventive and/or therapeutic treatment of conditions of irritable bowel syndrome and digestive tract functional disorder, or condition of diarrhea.

  以下为通式（1）所代表的化合物：其中R1代表卤素原子，R2代表氢原子或较低的烷基团，R3代表氢原子、较低的烷基团、较低的烷氧基团、羟基较低的烷基团、卤素原子或取代或未取代的氨基团，氨基团上的取代基选自以下群组：较低的烷基团、较低的烯基团、较低的烷基羰基团和氨基保护基，或其盐。本发明的化合物或其盐可作为药物的活性成分，用于预防和/或治疗肠易激综合征和消化道功能障碍症状或腹泻症状。
• PDE4 Inhibitor
  申请人：Meiji Seika Pharma Co., Ltd.

  公开号：US20160159783A1

  公开（公告）日：2016-06-09

  Provided is a compound represented by formula (1a) or a pharmacologically acceptable salt thereof. However, R 1 to R 6 in the formula each independently represent an alkyl group or the like.

  提供的化合物由式（1a）或其药学上可接受的盐表示。但是，在公式中，R1到R6各自独立地表示烷基或类似物。