4-氯-5-甲基苯-1,2-二醇 | 3938-12-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 4-氯-5-甲基苯-1,2-二醇
• 英文名称: 5-chloro-1,2-dihydroxy-4-methylbenzene
• 英文别名: 4-chloro-5-methylcatechol；5-Chlor-4-methyl-brenzcatechin；4-methyl-5-chloropyrocatechol；4-Chloro-5-methylbenzene-1,2-diol
• CAS: 3938-12-3
• 化学式: C₇H₇ClO₂
• 分子量: 158.584
• InChiKey: DJFHGZPAVXFRIJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-氯-5-甲基苯-1,2-二醇 在 过氧乙酸 作用下， 以 溶剂黄146 为溶剂， 生成 (Z)-3-methyl-5-oxo-2,5-dihydrofuran-2-ylideneacetic acid 、 (3-Chloro-2-methyl-5-oxo-2,5-dihydro-furan-2-yl)-acetic acid
  参考文献：
  名称：

  儿茶酚过氧乙酸氧化合成粘康酸

  摘要：

  摘要 通过在乙酸中用过乙酸氧化儿茶酚，制备了单体和二聚体粘康酸，产率 30-83%。

  DOI：

  10.1080/00397919908086126
• 作为产物：
  描述：

  4-氯-5-甲基-2-硝基苯酚 在 nitrophenol oxygenase 作用下， 以 phosphate buffer 为溶剂， 生成 4-氯-5-甲基苯-1,2-二醇
  参考文献：
  名称：

  Comparison of substituted 2-nitrophenol degradation by enzyme extracts and intact cells

  摘要：

  The first catabolic pathway enzyme, nitrophenol oxygenase, transforms o-nitrophenol (ONP) to catechol. Thirteen of 16 substituted nitrophenols tested were actively transformed by both enzyme preparations and intact cells yielding a wide range of K(m) (K(s)) and V(max). Individual chemicals in binary mixtures demonstrated competitive inhibition. Chemical and physical characteristics (electron withdrawal, size, and position of substitution on the 2-nitrophenol ring) affected degradation kinetics. The strongest correlations were between K(m) or V(max) values and electron withdrawal, though there was also evidence for effects relating to position and size of substitution on the aromatic ring. Kinetic parameters determined for enzyme preparations did not correlate to those determined for intact cells. Though enzyme reactivity ultimately determined whether a given chemical would be transformed, the transformation by intact cells was apparently affected by factors other than those directly impacting the initial catabolic enzyme.

  DOI：

  10.1021/es00051a018

文献信息

• [EN] GLUCAGON ANTAGONISTS/INVERSE AGONISTS<br/>[FR] ANTAGONISTES DE GLUCAGON/AGONISTES INVERSES
  申请人：NOVO NORDISK AS

  公开号：WO2000039088A1

  公开（公告）日：2000-07-06

  Non-peptide compounds comprising a central hydrazide motif and methods for the synthesis thereof. The compounds act to antagonize the action of the glucagon peptide hormone.

  非肽类化合物包括中心腙基团和其合成方法。这些化合物的作用是拮抗葡萄糖肽激素的作用。
• 2-SUBSTITUTED CEPHEM COMPOUNDS
  申请人：GLAXO GROUP LIMITED

  公开号：US20150299223A1

  公开（公告）日：2015-10-22

  The present invention relates to 2-substituted cephem compounds of Formula (I) having a quaternary ammonium group on the 3-side chain, preferably together with a cathechol group, or pharmaceutically acceptable salts thereof, which exhibit potent antimicrobial spectrum against a variety of bacteria including Gram negative bacteria and/or Gram positive bacteria, corresponding pharmaceutical compositions, methods of making, treatment methods for bacterial infections or uses thereof.

  本发明涉及具有第3侧链上季铵基团的2-取代头孢菌素化合物（I）, 与儿茶酚基团一起更佳，或其药学上可接受的盐，对包括革兰氏阴性菌和/或革兰氏阳性菌在内的多种细菌具有强效的抗微生物谱，相应的制药组合物，制备方法，治疗细菌感染的方法或其用途。
• Inhibitors of Hepatitis C virus NS3 serine protease
  申请人：VERTEX PHARMACEUTICALS INCORPORATED

  公开号：EP2314598A1

  公开（公告）日：2011-04-27

  The present invention relates to compounds, methods and pharmaceutical compositions for inhibiting proteases, particularly serine proteases, and more particularly HCV NS3 proteases. The compounds, and the compositions and_methods that utilize them, can be used, either alone or in combination to inhibit viruses, particularly HCV virus.

  本发明涉及用于抑制蛋白酶，特别是丝氨酸蛋白酶，更特别是HCV NS3蛋白酶的化合物、方法和药物组合物。这些化合物以及利用它们的组合物和方法可单独或联合用于抑制病毒，特别是 HCV 病毒。
• Inhibitors de serine proteases, especially of the NS3 protease of the hepatitis C virus
  申请人：VERTEX PHARMACEUTICALS INCORPORATED

  公开号：EP2409985A2

  公开（公告）日：2012-01-25

  The present invention relates to compounds, methods and pharmaceutical compositions for inhibiting proteases, particularly serine proteases, and more particularly HCV NS3 proteases. The compounds, and the compositions and methods that utilize them, can be used, either alone or in combination to inhibit viruses, particularly HCV virus.

  本发明涉及用于抑制蛋白酶，特别是丝氨酸蛋白酶，尤其是 HCV NS3 蛋白酶的化合物、方法和药物组合物。这些化合物以及利用它们的组合物和方法可单独或联合用于抑制病毒，特别是 HCV 病毒。
• NOVEL CEPHEM COMPOUND HAVING CATECHOL OR PSEUDO-CATECHOL STRUCTURE
  申请人：Shionogi & Co., Ltd.

  公开号：EP2703406A1

  公开（公告）日：2014-03-05

  The present invention provides a novel compound which has a wide antimicrobial spectrum, and in particular exhibits potent antimicrobial activity against beta-lactamase producing Gram negative bacteria. Specifically, the present invention provides a compound of the formula (I): wherein each symbol is as defined in the specification, or an amino-protected compound when the amino group is present on the ring in the 7-side chain, or a pharmaceutically acceptable salt thereof, and a pharmaceutical composition comprising the same.

  本发明提供了一种新型化合物，它具有广泛的抗菌谱，特别是对β-内酰胺酶产生的革兰氏阴性菌具有强效抗菌活性。具体地说，本发明提供了一种式（I）化合物： 其中各符号如说明书中所定义、 或当氨基存在于 7 侧链的环上时的氨基保护化合物，或其药学上可接受的盐，以及由其组成的药物组合物。