6-(4-羟苯基)己酸 | 6952-35-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 6-(4-羟苯基)己酸
• 中文别名: 6-(4-羟基苯基)己酸
• 英文名称: 6-(4-hydroxyphenyl)hexanoic acid
• CAS: 6952-35-8
• 化学式: C₁₂H₁₆O₃
• mdl: MFCD03425581
• 分子量: 208.257
• InChiKey: DQTMUMLMQOJHCI-UHFFFAOYSA-N

物化性质

• 熔点：
  99-102°C
• 沸点：
  409.4±28.0 °C(Predicted)
• 密度：
  1.148±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.416
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2918290000
• 危险性防范说明：
  P261,P264,P271,P280,P302+P352,P304+P340,P305+P351+P338,P312,P362,P403+P233,P501
• 危险性描述：
  H315,H319,H335

反应信息

• 作为反应物：
  描述：

  6-(4-羟苯基)己酸 在 palladium on activated charcoal sodium hydroxide 、 氢气 、 溶剂黄146 、 三乙胺 作用下， 生成 4-Aminomethyl-cyclohexanecarboxylic acid 4-(5-carboxy-pentyl)-phenyl ester
  参考文献：
  名称：

  抗纤溶酶药物的药物化学研究。4.反式-4-氨基甲基环己烷羧酸的化学修饰及其对抗纤溶酶活性的影响。

  摘要：

  DOI：

  10.1021/jm00273a011
• 作为产物：
  描述：

  6-(4-甲氧基苯基)-6-氧代己酸 在 氢溴酸 作用下， 以 溶剂黄146 为溶剂， 生成 6-(4-羟苯基)己酸
  参考文献：
  名称：

  Synthesis, metabolism, and in Vitro biological activities of 6-(10-hydroxydecyl)-2,3-dimethoxy-5-methyl-1,4-benzoquinone (CV-2619)-related compounds.

  摘要：

  合成了 6（10-羟基癸基）-2，3-二甲氧基-5-甲基-1，4-苯醌（1，CV-2619）的二甲基衍生物（3a 和 3b）、代谢物 2-4 的二甲基衍生物（4），以及 1 的羟基烷基链发生改变的化合物（13、20、21、23a 和 23b），用于代谢研究和生物活性评估。除去甲基衍生物（3a、3b 和 4）外，这些化合物在琥珀酸氧化系统中显示出与 1 相当的电子转移效应。化合物 13 和 23b 可抑制大鼠肝匀浆的脂质过氧化反应。

  DOI：

  10.1248/cpb.36.178

文献信息

• Synthesis, metabolism, and in Vitro biological activities of 6-(10-hydroxydecyl)-2,3-dimethoxy-5-methyl-1,4-benzoquinone (CV-2619)-related compounds.
  作者：KAYOKO OKAMOTO、MASAZUMI WATANABE、HIROSHI MORIMOTO、ISUKE IMADA

  DOI：10.1248/cpb.36.178

  日期：——

  Demethyl dirivatives (3a and 3b) of 6(10-hydroxydecyl)-2, 3-dimethoxy-5-methyl-1, 4-benzoquinone (1, CV-2619), demethyl derivative (4) of the metabolite 2-4, and compounds (13, 20, 21, 23a and 23b) in which the hydroxyalkyl chain of 1 is modified, were synthesized for metabolic studies and evaluation of their biological activities. In rats, 13 and trans-23a were metabolized more slowly than 1. These compounds, except for the demethyl derivatives (3a, 3b and 4), showed an electron tansfer effect comparable to that of 1 in the succinate oxidation system. Compounds 13 and 23b inhibited the lipid peroxidation of rat liver homogenate.

  合成了 6（10-羟基癸基）-2，3-二甲氧基-5-甲基-1，4-苯醌（1，CV-2619）的二甲基衍生物（3a 和 3b）、代谢物 2-4 的二甲基衍生物（4），以及 1 的羟基烷基链发生改变的化合物（13、20、21、23a 和 23b），用于代谢研究和生物活性评估。除去甲基衍生物（3a、3b 和 4）外，这些化合物在琥珀酸氧化系统中显示出与 1 相当的电子转移效应。化合物 13 和 23b 可抑制大鼠肝匀浆的脂质过氧化反应。
• Production of high activity thermostable phytase from thermotolerant Aspergillus niger in solid state fermentation
  作者：T N Mandviwala、J M Khire

  DOI：10.1038/sj.jim.2900811

  日期：2000.4.1

  The thermotolerant fungus, Aspergillus niger NCIM 563, was used for production of extracellular phytase on agricultural residues: wheat bran, mustard cake, cowpea meal, groundnut cake, coconut cake, cotton cake and black bean flour in solid state fermentation (SSF). Maximum enzyme activity (108 U g−1 dry mouldy bran, DMB) was obtained with cowpea meal. During the fermentation phytic acid was hydrolysed completely with a corresponding increase in biomass and phytase activity within 7 days. Phosphate in the form of KH2PO4 (10 mg per 100 g of agriculture residue) increased phytase activity. Among various surfactants added to SSF, Trition X-100 (0.5%) exhibited a 30% increase in phytase activity. The optimum pH and temperature of the crude enzyme were 5.0 and 50°C respectively. Phytase activity (86%) was retained in buffer of pH 3.5 for 24 h. The enzyme retained 75% of its activity on incubation at 55°C for 1 h. In the presence of 1 mM K+ and Zn2+, 95% and 55% of the activity were retained. Scanning electron microscopy showed a high density growth of fungal mycelia on wheat bran particles during SSF. Journal of Industrial Microbiology & Biotechnology (2000) 24, 237–243.

  耐热真菌黑曲霉 NCIM 563 用于在固态发酵 (SSF) 中利用农业残留物生产胞外植酸酶：麦麸、芥菜饼、豇豆粉、花生饼、椰子饼、棉饼和黑豆粉。豇豆粉获得最大酶活性（108 U g−1 干发霉麸皮，DMB）。在发酵过程中，植酸完全水解，7天内生物量和植酸酶活性相应增加。 KH2PO4 形式的磷酸盐（每 100 克农业残留物含 10 毫克）可提高植酸酶活性。在添加到 SSF 中的各种表面活性剂中，Trition X-100 (0.5%) 的植酸酶活性提高了 30%。粗酶的最适pH为5.0，最适温度为50℃。植酸酶活性（86%）在pH 3.5的缓冲液中保留24小时。在 55°C 下孵育 1 小时后，该酶保留了 75% 的活性。在 1mM K+ 和 Zn2+ 存在下，保留了 95% 和 55% 的活性。扫描电子显微镜显示，SSF 期间麦麸颗粒上真菌菌丝体高密度生长。工业微生物学与生物技术杂志 (2000) 24, 237–243。
• Particles, particle dispersion, particle-dispersed resin composition, producing method therefor, resin molded article, producing method therefor, catalyst particles, catalyst solution, catalyst composition, catalyst molded article, titanium complex, titanium oxide particles and producing method therefor
  申请人：NITTO DENKO CORPORATION

  公开号：US10265693B2

  公开（公告）日：2019-04-23

  Organic-inorganic composite particles that can be dispersed in a solvent and/or a resin as primary particles having an organic group on the surface of inorganic particles, the organic-inorganic composite particles having negative birefringence.

  有机-无机复合粒子，可作为初级粒子分散在溶剂和/或树脂中，无机粒子表面带有有机基团，有机-无机复合粒子具有负双折射。
• Initial structure–activity relationship of a novel class of nonpeptidyl GnRH receptor antagonists: 2-arylindoles
  作者：Lin Chu、Jennifer E. Hutchins、Ann E. Weber、Jane-Ling Lo、Yi-Tien Yang、Kang Cheng、Roy G. Smith、Michael H. Fisher、Matthew J. Wyvratt、Mark T. Goulet

  DOI：10.1016/s0960-894x(00)00707-1

  日期：2001.2

  A nonpeptidyl GnRH receptor antagonist (1), with a unique 2-arylindole core, was identified through the Merck inhouse screening for binding affinity on the rat GnRH receptor. SAR studies directed toward the alkoxy-ethanolamine and 2-aryl groups resulted in a simpler lead structure with improved activity. This compound 50 exhibits a 60-fold improvement in binding activity over our initial lead 1. (C) 2001 Elsevier Science Ltd. All rights reserved.
• Design and Structural Optimization of Dual FXR/PPARδ Activators
  作者：Simone Schierle、Sebastian Neumann、Pascal Heitel、Sabine Willems、Astrid Kaiser、Julius Pollinger、Daniel Merk

  DOI：10.1021/acs.jmedchem.0c00618

  日期：2020.8.13

  Nonalcoholic steatohepatitis (NASH) is considered as severe hepatic manifestation of the metabolic syndrome and has alarming global prevalence. The ligand-activated transcription factors farnesoid X receptor (FXR) and peroxisome proliferator-activated receptor (PPAR) delta have been validated as molecular targets to counter NASH. To achieve robust therapeutic efficacy in this multifactorial pathology, combined peripheral PPAR delta-mediated activity and hepatic effects of FXR activation appear as a promising multitarget approach. We have designed a minimal dual FXR/PPAR delta activator scaffold by rational fusion of pharmacophores derived from selective agonists. Our dual agonist lead compound exhibited weak agonism on FXR and PPAR delta and was structurally refined to a potent and balanced FXR/PPAR delta activator in a computer-aided fashion. The resulting dual FXR/PPAR delta modulator comprises high selectivity over related nuclear receptors and activates the two target transcription factors in native cellular settings.