5-(4-nitrophenoxy)pentanoic acid | 103797-32-6

• 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-(4-nitrophenoxy)pentanoic acid
• CAS: 103797-32-6
• 化学式: C₁₁H₁₃NO₅
• mdl: MFCD11192939
• 分子量: 239.228
• InChiKey: QUUFBUJEGLDSHJ-UHFFFAOYSA-N

物化性质

• 沸点：
  453.6±25.0 °C(Predicted)
• 密度：
  1.286±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  92.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-(4-nitrophenoxy)pentanoic acid 在 氯化亚砜 作用下， 以 甲苯 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  The discovery and optimization of novel dual inhibitors of topoisomerase ii and histone deacetylase

  摘要：

  A novel class of podophyllotoxin derivatives have been designed and synthesized based on the synergistic antitumor effects of topoisomerase II and histone deacetylase inhibitors. Their inhibitory activities towards histone deacetylases and Topo II and their cytotoxicities in cancer cell lines were evaluated. The aromatic capping group connection, linker length and zinc-binding group were systematically varied and preliminary conclusions regarding structure-activity relationships are discussed. Among all of the synthesized hybrid compounds, compound 24d showed the most potent HDAC inhibitory activity at a low nanomolar level and exhibited powerful antiproliferative activity towards HCT116 colon carcinoma cells at a low micromolar level. Further exploration of this series led to the discovery of potent dual inhibitor 32, which exhibited the strongest in vitro cytotoxic activity. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.09.023
• 作为产物：
  描述：

  4-(4-nitrophenoxy)butanoic acid 在 四氢糠醇 、 盐酸 、 溶剂黄146 作用下， 生成 5-(4-nitrophenoxy)pentanoic acid
  参考文献：
  名称：

  Gerecs; Windholz, Acta Chimica Academiae Scientiarum Hungaricae, 1958, vol. 14, p. 417,418

  摘要：

  DOI：

文献信息

• 바르비투르산 유도체 화합물을 유효성분으로 포함하는 살충제
  申请人：서울대학교산학협력단

  公开号：KR20220066701A

  公开（公告）日：2022-05-24

  본 발명은 저항성 해충의 발달, 인축에 대한 독성, 환경오염, 잔류문제 등 다양한 부작용을 낳고 있는 유기합성 농약을 대체할 수 있는 새로운 살충제 원제 개발에 활용 가능한 바르비투르산 유도체 화합물, 이를 유효성분으로 함유하는 살충제 조성물을 제공한다.

  本发明提供了一种可以用于开发新的杀虫剂原料，以替代产生多种副作用，如抗性害虫的发展，对人畜的毒性，环境污染和残留问题等有机合成农药的巴比妥酸诱导体化合物，以及包含其作为有效成分的杀虫剂组合物。
• Method for controlling molecular weight of polyhydroxyalkanoate constituted of units containing residue of phenyl-, thienyl-, or cyclohexyl-structure in side chain of molecule
  申请人：CANON KABUSHIKI KAISHA

  公开号：EP1340776A1

  公开（公告）日：2003-09-03

  A method is provided for controlling the molecular weight of a polyhydroxyalkanoate containing at least one of a unit: -[OCH((CH2)mR1)CH2C(O)]- (m=1-8; R1 is a residue having a ring structure of any of phenyl and thienyl structure), and a unit: -[OCH((CH2)kC6H10R2)CH2C(O)]- (k=0-8; R2 denotes a substituent on the cyclohexyl group including H, CN, NO2, halogen atom, CH3, C2H5, C3H7, CF3, C2F5 or C3F7), wherein a microorganism is cultivated in the presence of a hydroxyl group-containing compound, which is capable of producing the polyhydroxyalkanoate from R3(CH2)qCH2CH2COOH (q=1-8; R3 contains a residue having a ring structure of phenyl or thienyl) or R4C6H10(CH2)rCH2CH2COOH (r=0-8; R4 denotes a substituent on the cyclohexyl group including H, CN, NO2, halogen, CH3, C2H5, C3H7, CF3, C2F5, or C3F7).

  本发明提供了一种控制聚羟基烷酸酯分子量的方法，该聚羟基烷酸酯含有至少一个单元：-[OCH((CH2)mR1)CH2C(O)]-（m=1-8；R1 是具有苯基和噻吩基结构中任何一种环结构的残基），以及一个单元：-[OCH((CH2)kC6H10R2)CH2C(O)]-(k=0-8；R2 表示环己基上的取代基，包括 H、CN、NO2、卤素原子、CH3、C2H5、C3H7、CF3、C2F5 或 C3F7)，其中在含羟基化合物存在下培养微生物，该微生物能够由 R3(CH2)qCH2CH2COOH（q=1-8；R3 包含具有苯基或噻吩基环结构的残基）或 R4C6H10(CH2)rCH2CH2COOH （r=0-8；R4 表示环己基上的取代基，包括 H、CN、NO2、卤素、CH3、C2H5、C3H7、CF3、C2F5 或 C3F7）。
• 363. The chemotherapy of schistosomiasis. Part IV. Some ethers of 4-amino-2-methoxyphenol
  作者：R. F. Collins、M. Davis

  DOI：10.1039/jr9610001863

  日期：——
• Ashley et al., Journal of the Chemical Society, 1959, p. 897,901
  作者：Ashley et al.

  DOI：——

  日期：——
• VALU, KISIONE K.;GOURDIE, TRUDI A.;BORITZKI, THEODORE J.;GRAVATT, G. LANC+, J. MED. CHEM., 33,(1990) N1, C. 3014-3019
  作者：VALU, KISIONE K.、GOURDIE, TRUDI A.、BORITZKI, THEODORE J.、GRAVATT, G. LANC+

  DOI：——

  日期：——