5-methylorsellinic acid | 519-42-6

• 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: 5-methylorsellinic acid
• 英文别名: 4,6-dihydroxy-2,3-dimethyl-benzoic acid；4,6-Dihydroxy-2,3-dimethyl-benzoesaeure；4,6-Dihydroxy-2,3-dimethyl<1-14C>benzoesaeure；2,4-Dihydroxy-5,6-dimethoxybenzoesaeure；2,4-Dihydroxy-5,6-dimethyl-benzoesaeure；5-Methylorsellinsaeure；4,6-Dihydroxy-2,3-dimethylbenzoic acid；4,6-dihydroxy-2,3-dimethylbenzoic acid
• CAS: 519-42-6
• 化学式: C₉H₁₀O₄
• 分子量: 182.176
• InChiKey: GIBRZOCMRFRCOQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  77.8
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 海关编码：
  2918290000

反应信息

• 作为反应物：
  描述：

  5-methylorsellinic acid 在 nonribosomal peptide synthase-like protein ATEG_03630 from Saccharomyces cerevisiae BJ₅₄₆₄-NpgA strain 、 5’-三磷酸腺苷 、 还原型辅酶II(NADPH)四钠盐 、 magnesium chloride 作用下， 以 aq. buffer 为溶剂， 生成 4,6-二羟基-2,3-二甲基苯甲醛
  参考文献：
  名称：

  Aryl-aldehyde Formation in Fungal Polyketides: Discovery and Characterization of a Distinct Biosynthetic Mechanism

  摘要：

  Aryl-aldehydes are a common feature in fungal polyketides, which are considered to be exclusively generated by the R domain of nonreducing polyketide synthases (NR-PKSs). However, by cloning and heterologous expression of both cryptic NR-PKS and nonribosomal peptide synthase (NRPS)-like genes from Aspergillus terreus in Saccharomyces cerevisiae, we identified a distinct mechanism for aryl-aldehyde formation in which a NRPS-like protein activates and reduces an aryl-acid produced by the accompanying NR-PKS to an aryl-aldehyde. Bioinformatics study indicates that such a mechanism may be widely used throughout the fungi kingdom.

  DOI：

  10.1016/j.chembiol.2013.12.005
• 作为产物：
  描述：

  4,6-二羟基-2,3-二甲基苯甲醛 在 吡啶 、 氢氧化钾 、 potassium permanganate 、 丙酮 作用下， 生成 5-methylorsellinic acid
  参考文献：
  名称：

  640. 4：5-二甲基间苯二酚的衍生物

  摘要：

  DOI：

  10.1039/jr9490003038

文献信息

• Macrocyclic compounds useful as inhibitors of kinases and HSP90
  申请人：Winssinger Nicolas

  公开号：US20080146545A1

  公开（公告）日：2008-06-19

  Disclosed are macrocyclic compounds of formulae I-V, which are analogs of the pochonin resorcylic acid lactones, and processes for the preparation of the compounds. The compounds disclosed are useful as inhibitors of kinases and Heat Shock Protein 90 (HSP 90). Also disclosed are pharmaceutical compositions comprising an effective kinase-inhibiting amount or an effective HSP90-inhibiting amount of the compounds and methods for the treatment of disorders that are mediated by kinases and HSP90.

  本发明公开了式I-V的大环化合物，它们是pochonin邻苯二酚内酯的类似物，并公开了制备这些化合物的方法。所公开的化合物可用作激酶和热休克蛋白90（HSP 90）的抑制剂。还公开了包含有效的激酶抑制剂量或有效的HSP90抑制剂量的药物组合物以及治疗由激酶和HSP90介导的疾病的方法。
• Formation of trianions of 2,4,6-triketones. Synthesis of 3,5,7-triketo acids using lithium diisopropylamide
  作者：Thomas M. Harris、George P. Murphy、Albert J. Poje

  DOI：10.1021/ja00440a047

  日期：1976.11
• Koller; Passler, Monatshefte fur Chemie, 1930, vol. 56, p. 212,231
  作者：Koller、Passler

  DOI：——

  日期：——
• Pettersson, Acta Chemica Scandinavica (1947), 1965, vol. 19, # 7, p. 1724 - 1732
  作者：Pettersson

  DOI：——

  日期：——
• [EN] DYE COMPOSITION COMPRISING A RESORCINOL-BASED COUPLER AND AN OXIDATION BASE<br/>[FR] COMPOSITION COLORANTE COMPRENANT UN COUPLEUR À BASE DE RÉSORCINOL ET UNE BASE D'OXYDATION
  申请人：OREAL

  公开号：WO2017051020A1

  公开（公告）日：2017-03-30

  The present invention relates to a composition for dyeing keratin fibres, comprising one or more resorcinol-based couplers, one or more oxidation bases and, preferably, one or more oxidizing agents, preferably chemical oxidizing agents, said composition being free of catalyst, in particular free of metal catalyst. The present invention also relates to a process for dyeing keratin fibres, in particular human keratin fibres such as the hair, using said composition, and also to a multi-compartment device that is suitable for using said composition.