6-(4-氨基苯基)己酸甲酯 | 123043-07-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 6-(4-氨基苯基)己酸甲酯
• 英文名称: methyl 6-(4-aminophenyl)hexanoate
• CAS: 123043-07-2
• 化学式: C₁₃H₁₉NO₂
• 分子量: 221.299
• InChiKey: VBZSLZJSQODQRY-UHFFFAOYSA-N

物化性质

• 沸点：
  346.8±25.0 °C(Predicted)
• 密度：
  1.051±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-(4-氨基苯基)己酸甲酯 在 水 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 sodium hydroxide 作用下， 以 甲醇 、 二氯甲烷 、 甲苯 为溶剂， 生成
  参考文献：
  名称：

  [EN] DEVELOPMENT OF A HIGHLY EFFICIENT SECOND GENERATION FENTANYL-CONJUGATE VACCINE TO TREAT FENTANYL ADDICTION
  [FR] DÉVELOPPEMENT D'UN VACCIN CONJUGUÉ À UN FENTANYL DE DEUXIÈME GÉNÉRATION HAUTEMENT EFFICACE POUR TRAITER LA TOXICOMANIE

  摘要：

  The invention is directed to fentanyl analogues and a conjugate comprising same, as well as a method of inducing an immune response against fentanyl.

  公开号：

  WO2022240898A1
• 作为产物：
  描述：

  5-己炔酸 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 硫酸 、 palladium 10% on activated carbon 、 氢气 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 0.17h， 生成 6-(4-氨基苯基)己酸甲酯
  参考文献：
  名称：

  [EN] DEVELOPMENT OF A HIGHLY EFFICIENT SECOND GENERATION FENTANYL-CONJUGATE VACCINE TO TREAT FENTANYL ADDICTION
  [FR] DÉVELOPPEMENT D'UN VACCIN CONJUGUÉ À UN FENTANYL DE DEUXIÈME GÉNÉRATION HAUTEMENT EFFICACE POUR TRAITER LA TOXICOMANIE

  摘要：

  The invention is directed to fentanyl analogues and a conjugate comprising same, as well as a method of inducing an immune response against fentanyl.

  公开号：

  WO2022240898A1

文献信息

• Inhibitors of oplophorus luciferase-derived bioluminescent complexes
  申请人：PROMEGA CORPORATION

  公开号：US11390599B2

  公开（公告）日：2022-07-19

  Compounds that may selectively inhibit Oplophorus luciferase-derived bioluminescent complexes, e.g., NanoBiT® bioluminescent complex, are disclosed as well as compositions and kits comprising the compounds, and methods of using the compounds.

  公开了可选择性抑制 Oplophorus 荧光素酶衍生的生物发光复合物（如 NanoBiT® 生物发光复合物）的化合物，以及包含这些化合物的组合物和试剂盒，以及使用这些化合物的方法。
• DNA-directed alkylating agents. 3. Structure-activity relationships for acridine-linked aniline mustards: consequences of varying the length of the linker chain
  作者：Kisione K. Valu、Trudi A. Gourdie、Theodore J. Boritzki、G. Lance Gravatt、Bruce C. Baguley、William R. Wilson、Laurence P. G. Wakelin、Paul D. Woodgate、William A. Denny

  DOI：10.1021/jm00173a016

  日期：1990.11

  Four series of acridine-linked aniline mustards have been prepared and evaluated for in vitro cytotoxicity, in vivo antitumor activity, and DNA cross-linking ability. The anilines were attached to the DNA-intercalating acridine chromophores by link groups (-O-, -CH2-, -S-, and -SO2-) of widely varying electronic properties, providing four series of widely differing mustard reactivity where the alkyl chain linking the acridine and mustard moieties was varied from two to five carbons. Relationships were sought between chain length and biological properties. Within each series, increasing the chain length did not alter the reactivity of the alkylating moiety but did appear to position it differently on the DNA, since cross-linking ability (measured by agarose gel assay) altered with chain length, being maximal with the C4 analogue. The in vivo antitumor activities of the compounds depended to some extent on the reactivity of the mustard, with the least reactive SO2 compounds being inactive. However, DNA-targeting did appear to allow the use of less reactive mustards, since the S-linked acridine mustards showed significant activity whereas the parent S-mustard did not. Within each active series, the most active compound was the C4 homologue, suggesting some relationship between activity and extent of DNA alkylation.
• 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：——
• INHIBITORS OF OPLOPHORUS LUCIFERASE-DERIVED BIOLUMINESCENT COMPLEXES
  申请人：Promega Corporation

  公开号：EP3802514A1

  公开（公告）日：2021-04-14