3-Hydroxy-2,4-dimethyl-benzoesaeure | 6994-66-7

• 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: 3-Hydroxy-2,4-dimethyl-benzoesaeure
• 英文别名: 3-Hydroxy-2,4-dimethylbenzoic acid
• CAS: 6994-66-7
• 化学式: C₉H₁₀O₃
• mdl: MFCD08693409
• 分子量: 166.177
• InChiKey: MUGSXGBLOKGUAT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-Hydroxy-2,4-dimethyl-benzoesaeure 、 (4S)-1-[(2S,3S)-3-amino-2-hydroxy-4-phenylbutyryl]-4-chloro-N-t-butyl-L-prolinamide 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 (2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2,4-dimethyl-benzoyl)amino]-4-phenyl-butanoyl]pyrrolidine-2-carboxamide
  参考文献：
  名称：

  含有α-羟基-β-氨基酸的HIV-1蛋白酶抑制剂的构效关系。对P1网站的详细研究。

  摘要：

  讨论了含有α-羟基-β-氨基酸的HIV-1蛋白酶（HIV-1 PR）抑制剂的构效关系。我们证明了抑制剂的P1芳环上的取代基对其生物学活性具有重要影响。发现在它们的P1苯环的间位和对位带有烷基或氟原子的抑制剂是良好的抑制剂。我们还发现，P2苯甲酰胺的取代位置对于良好的抗病毒效力至关重要。在这项研究中，抑制剂48是最有效的[IC90（CEM / HIV-1 IIIB）27 nM]，在大鼠中显示出良好的药代动力学。

  DOI：

  10.1016/s0968-0896(99)00127-3

文献信息

• Inhibitors of inflammation and reperfusion injury and methods of use thereof
  申请人：——

  公开号：US20020095044A1

  公开（公告）日：2002-07-18

  The invention provides a novel class of substituted isoindolinone derivatives. Pharmaceutical compositions, and methods of making and using the compounds, or pharmaceutically acceptable salts, hydrates, prodrugs, or mixtures thereof are also described.

  这项发明提供了一类新型的取代异吲哚酮衍生物。还描述了药物组合物的制备方法以及使用这些化合物或药用盐、水合物、前药或其混合物的方法。
• Fluorinated Dicarboxylic Acid Derivative and Polymer Obtained Therefrom
  申请人：Isono Yoshimi

  公开号：US20110301305A1

  公开（公告）日：2011-12-08

  According to the present invention, a polymer is obtained by polycondensation of a fluorinated dicarboxylic acid derivative of the general formula (M-1) or an acid anhydride of the fluorinated dicarboxylic acid with a polyfunctional compound having two to four reactive groups corresponding in reactivity to carbonyl moieties of the fluorinated dicarboxylic acid derivative or acid anhydride. [Chem. 134] AOCF 2 C-Q-CF 2 COA′  (M-1) In the above formula, Q represents a divalent organic group having a substituted or unsubstituted aromatic ring; and A and A′ each independently represent an organic group. This polymer exhibits a sufficiently low dielectric constant for use as a semiconductor protection film and has the capability of forming a film at a relatively low temperature of 250° C. or lower.

  根据本发明，通过将通式(M-1)的含氟二羧酸衍生物或含氟二羧酸酸酐与具有与含氟二羧酸衍生物或酸酐的羰基部分相对应的两到四个反应性基团的多官能化合物进行聚合缩合反应，可以得到一种聚合物。[Chem. 134]AOCF2C-Q-CF2COA′  (M-1)在上述公式中，Q代表具有取代或未取代芳香环的二价有机基团; A和A'各自独立地表示有机基团。该聚合物表现出足够低的介电常数，可用作半导体保护膜，并具有在相对较低的温度下（250℃或更低）形成膜的能力。
• Pharmaceutically active phenylcarboxylic acid derivatives
  申请人：ICI AMERICAS INC.

  公开号：EP0083228A1

  公开（公告）日：1983-07-06

  Compounds which antagonize the slow-reacting substance of anaphylaxis or components thereof, e.g., leukotrienes, in warm blooded animals as well as intermediates and methods for their preparation, pharmaceutical compositions and method for their administration. The compounds are diphenyl carboxylic acids with particular linking groups between the individual phenyl rings and the carboxylic acid moiety. Particular utilities are to relieve asthma and inflammation in man.

  拮抗温血动物过敏性休克慢反应物质或其成分（如白三烯）的化合物及其中间体和制备方法、药物组合物和给药方法。这些化合物是二苯基羧酸，在单个苯基环和羧酸分子之间具有特殊的连接基团。特别适用于缓解人类的哮喘和炎症。
• NOVEL FUSED IMIDAZOLE DERIVATIVE
  申请人：MSD K.K.

  公开号：EP1813613B1

  公开（公告）日：2012-12-19
• Novel Fused Imidazole Derivative
  申请人：Sato Yoshiyuki

  公开号：US20080103136A1

  公开（公告）日：2008-05-01

  The present invention relates to a compound represented by the Formula [I]: Wherein: the A ring is a 5-membered aromatic heterocyclic group containing at least one hetero atom selected from a nitrogen atom, and the like; A 1 and A 2 , are each a nitrogen atom, and the like; X 2 , X 3 , X 4 , and X 5 are all carbon atoms, or alternatively any one of X 2 , X 3 , X 4 , and X 5 is a nitrogen atom and the rest are all carbon atoms; R 1 is a hydrogen atom, or the like; R 2 , R 3 , R 4 , and R 5 , are each a hydrogen atom, or the like; R 6 and R 6 ′, are each a hydrogen atom, and the like; R 7 is an aryl group and the like; and R 8 is an amino group or a hydroxy group, or a pharmaceutically acceptable salt or ester thereof.