4-甲基-5-苯基戊-2,4-二烯酸 | 107057-89-6

• 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: 4-甲基-5-苯基戊-2,4-二烯酸
• 英文名称: 4-Methyl-5-phenyl-2,4-pentadiensaeure
• 英文别名: 4-methyl-5ξ-phenyl-penta-2ξ,4-dienoic acid；4-Methyl-5ξ-phenyl-penta-2ξ,4-diensaeure；γ-Methyl-cinnamylidenessigsaeure；3-Methyl-4-phenyl-butadien-(1.3)-carbonsaeure-(1)；4-Methyl-5-phenyl-penta-2,4-diensaeure；2,4-Pentadienoic acid, 4-methyl-5-phenyl-；4-methyl-5-phenylpenta-2,4-dienoic acid
• CAS: 107057-89-6
• 化学式: C₁₂H₁₂O₂
• 分子量: 188.226
• InChiKey: NWKUGDBRICNTTN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  乙醇 、 4-甲基-5-苯基戊-2,4-二烯酸 在 硫酸 作用下， 生成 (2E,4E)-ethyl 4-methyl-5-phenylpenta-2,4-dienoate
  参考文献：
  名称：

  v. Auwers, Journal fur praktische Chemie (Leipzig 1954), 1922, vol. <2> 105, p. 380

  摘要：

  DOI：
• 作为产物：
  描述：

  (2E,4E)-ethyl 4-methyl-5-phenylpenta-2,4-dienoate 在 sodium hydroxide 作用下， 生成 4-甲基-5-苯基戊-2,4-二烯酸
  参考文献：
  名称：

  v. Auwers, Journal fur praktische Chemie (Leipzig 1954), 1922, vol. <2> 105, p. 380

  摘要：

  DOI：

文献信息

• Histone deacetylase inhibitors
  申请人：Lan-Hargest Hsuan-Yin

  公开号：US20050107348A1

  公开（公告）日：2005-05-19

  Histone deacetylase is a metallo-enzyme with zinc at the active site. Compounds having a zinc-binding moiety, such as, for example, a hydroxamic acid group or a carboxylic acid group, can inhibit histone deacetylase. Histone deacetylase can repress gene expression, including expression of genes related to tumor suppression. Accordingly, inhibition of histone deacetylase can provide an alternate route for treating cancer, hematological disorders, e.g., hemoglobinopathies, and genetic related metabolic disorders, e.g., cystic fibrosis and adrenoleukodystrophy.

  组蛋白去乙酰化酶是一种金属酶，其活性部位含锌。具有结合锌的基团的化合物，例如羟肟酸基团或羧酸基团，可以抑制组蛋白去乙酰化酶。组蛋白去乙酰化酶可以抑制基因表达，包括与肿瘤抑制相关的基因表达。因此，抑制组蛋白去乙酰化酶可以提供一种替代途径来治疗癌症、血液系统疾病（例如血红蛋白病）和遗传相关代谢性疾病（例如囊性纤维化和肾上腺白质脑病）。
• Histone Deacetylase Inhibitors
  申请人：Lan-Hargest Hsuan-Yin

  公开号：US20120035257A1

  公开（公告）日：2012-02-09

  Histone deacetylase is a metallo-enzyme with zinc at the active site. Compounds having a zinc-binding moiety, such as, for example, a hydroxamic acid group or a carboxylic acid group, can inhibit histone deacetylase. Histone deacetylase can repress gene expression, including expression of genes related to tumor suppression. Accordingly, inhibition of histone deacetylase can provide an alternate route for treating cancer, hematological disorders, e.g., hemoglobinopathies, and genetic related metabolic disorders, e.g., cystic fibrosis and adrenoleukodystrophy.

  组蛋白去乙酰化酶是一种含有锌活性位点的金属酶。具有锌结合基团（例如羟肟酸基团或羧酸基团）的化合物可以抑制组蛋白去乙酰化酶。组蛋白去乙酰化酶可以抑制基因表达，包括与肿瘤抑制相关的基因表达。因此，抑制组蛋白去乙酰化酶可以提供一种替代途径来治疗癌症、血液疾病（例如血红蛋白病）和遗传相关代谢疾病（例如囊性纤维化和肾上腺白质营养不良症）。
• HISTONE DEACETYLASE INHIBITORS
  申请人：Lan-Hargest Hsuan-Yin

  公开号：US20110288168A1

  公开（公告）日：2011-11-24

  Histone deacetylase is a metallo-enzyme with zinc at the active site. Compounds having a zinc-binding moiety, such as, for example, a hydroxamic acid group or a carboxylic acid group, can inhibit histone deacetylase. Histone deacetylase inhibition can repress gene expression, including expression of genes related to tumor suppression. Accordingly, inhibition of histone deacetylase can provide an alternate route for treating cancer, hematological disorders, e.g., hemoglobinopathies, genetic disorders, e.g. Huntington's disease and spinal muscular atrophy and genetic related metabolic disorders, e.g., cystic fibrosis and adrenoleukodystrophy.

  组蛋白去乙酰化酶是一种含有锌活性位点的金属酶。具有锌结合基团的化合物，例如羟肟酸基团或羧酸基团，可以抑制组蛋白去乙酰化酶。组蛋白去乙酰化酶抑制可以抑制基因表达，包括与肿瘤抑制相关的基因表达。因此，抑制组蛋白去乙酰化酶可以提供一种替代途径来治疗癌症、血液学疾病（例如血红蛋白病）、遗传疾病（例如亨廷顿病和脊髓肌萎缩症）和遗传相关代谢性疾病（例如囊性纤维病和肾上腺白质脑病）。
• Carbonyl Homologation via β-Trimethylsilyl β-Lactone Rearrangements. A Nonbasic Alternative to the Wittig Reaction
  作者：T. Howard Black、Yong Zhang、Jianhua Huang、Douglas C. Smith、Bryan E. Yates

  DOI：10.1080/00397919508010783

  日期：1995.1

  Saturated and unsaturated aldehydes and ketones, when treated with trimethylsilylketene and BF3 for 16 hours, form beta-lactones which spontaneously rearrange to alpha, beta-unsaturated TMS esters; these hydrolyze during workup to form the corresponding carboxylic acids.
• Sacharkin; Sorokina, Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1959, p. 936; engl. Ausg. S. 903
  作者：Sacharkin、Sorokina

  DOI：——

  日期：——