6-(4-硝基苯氧基)-己酸 | 104396-54-5

• 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-硝基苯氧基)-己酸
• 英文名称: 6-(4-nitrophenoxy)hexanoic acid
• 英文别名: 6-(4-Nitrophenoxy)-hexanoic acid
• CAS: 104396-54-5
• 化学式: C₁₂H₁₅NO₅
• mdl: MFCD20129269
• 分子量: 253.255
• InChiKey: SSFHTIKBQWULIU-UHFFFAOYSA-N

物化性质

• 熔点：
  101-103 °C
• 沸点：
  460.2±25.0 °C(Predicted)
• 密度：
  1.251±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.416
• 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：

  6-(4-硝基苯氧基)-己酸 在 4-二甲氨基吡啶 、 氯化亚砜 、 三乙胺 作用下， 以 甲苯 为溶剂， 反应 2.0h， 生成 tert-butyl (tert-butyldimethylsilyl)oxy(6-(4-nitrophenoxy)hexanoyl)carbamate
  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：

  6-溴己酸甲酯 在 盐酸 、 potassium carbonate 、 sodium iodide 作用下， 以 水 、 丙酮 为溶剂， 反应 64.0h， 生成 6-(4-硝基苯氧基)-己酸
  参考文献：
  名称：

  Absorbable polyurethanes and methods of use thereof

  摘要：

  揭示了新型可生物吸收和可生物降解的单体化合物，由此制备的可生物吸收和可生物降解聚合物，以及制备这些单体和聚合物的方法。这些单体和聚合物在制药递送系统、组织工程应用、组织粘合剂产品、可植入医疗器械、泡沫和网状泡沫用于伤口愈合和药物递送、骨止血剂和骨填充剂、粘连预防屏障、网格、过滤器、支架、医疗器械涂层、制药药物配方、消费品和化妆品以及制药包装、服装、输液装置、采血管和设备、其他医疗管道、皮肤护理产品和经皮递药材料等方面具有用途。

  公开号：

  US08901347B1

文献信息

• Functionalized drugs and polymers derived therefrom
  申请人：Bezwada S. Rao

  公开号：US20060172983A1

  公开（公告）日：2006-08-03

  Compounds selected from: where DRUG-OH, DRUG-COOH and DRUG-NH 2 are biologically active compounds; each X is independently selected from —CH 2 COO— (glycolic acid moiety), —CH(CH 3 )COO— (lactic acid moiety), —CH 2 CH 2 OCH 2 COO— (dioxanone moiety), —CH 2 CH 2 CH 2 CH 2 CH 2 COO— (caprolactone moiety), —(CH 2 ) y COO—, where y is 2-4 or 6-24 and —(CH 2 CH 2 O) z CH 2 COO—, where z is 2-24; each Y is independently selected from —COCH 2 O— (glycolic ester moiety), —COCH(CH 3 )O— (lactic ester moiety), —COCH 2 OCH 2 CH 2 O— (dioxanone ester moiety), —COCH 2 CH 2 CH 2 CH 2 CH 2 O— (caprolactone ester moiety), —CO(CH 2 ) m O—, where m is 2-4 or 6-24 and —COCH 2 O(CH 2 CH 2 O) n — where n is between 2-24; R′ is hydrogen, benzyl or an alkyl group, the alkyl group being either straight-chained or branched; and p is 1-6. Multi-functional compounds and drug dimers, oligomers and polymers are also disclosed.

  从中选择的化合物：其中DRUG-OH，DRUG-COOH和DRUG-NH2是生物活性化合物；每个X独立地从—CH2COO—（乙二酸基团），—CH(CH3)COO—（乳酸基团），—CH2CH2OCH2COO—（二氧杂环己酮基团），—CH2CH2CH2CH2CH2COO—（己内酯基团），—(CH2)yCOO—中选择，其中y为2-4或6-24和—(CH2CH2O)zCH2COO—，其中z为2-24；每个Y独立地从—COCH2O—（乙二酸酯基团），—COCH(CH3)O—（乳酸酯基团），—COCH2OCH2CH2O—（二氧杂环己酮酯基团），—COCH2CH2CH2CH2CH2O—（己内酯酯基团），—CO(CH2)mO—，其中m为2-4或6-24和—COCH2O(CH2CH2O)n—，其中n为2-24；R′为氢，苄基或烷基，烷基可以是直链或支链；p为1-6。还披露了多功能化合物和药物二聚体、寡聚体和聚合物。
• Polyhydroxyalkanoate, method for production thereof and microorganisms for use in the same
  申请人：CANON KABUSHIKI KAISHA

  公开号：US20040067576A1

  公开（公告）日：2004-04-08

  A polyhydroxyalkanoate having a monomer unit composition represented by General Formula (1): A m B (1−m) (1) wherein A is represented by General Formula (2), B is at least one selected from the group consisting of monomer units represented by General Formula (3) or (4), and m has a value of 0.01 or larger and smaller than 1: 1 wherein n has a value of 0 to 10, k has a value of 3 or 5, and R is at least one group selected from the group consisting of groups represented by General Formulae (5) to (7): 2 in Formula (5) R1 is a group selected from the group consisting of a hydrogen atom (H), halogen atoms, —CN, —NO 2 , —CF 3 , —C 2 F 5 . and —C 3 F 7 ; and q is an integer selected from 1 to 8; in Formula (6) R2 is a group selected from the group consisting of a hydrogen atom (H), halogen atoms, —CN, —NO 2 , —CF 3 , —C 2 F 5 and —C 3 F 7 ; and r is an integer selected from 1 to 8; in Formula (7) R3 is a group selected from the group consisting of a hydrogen atom (H), halogen atoms, —CN, —NO 2 , —CF 3 , —C 2 F 5 and —C 3 F 7 ; and s is an integer selected from 1 to 8. The efficient production methods are also provided.

  一种聚羟基脂肪酸酯，其单体单元组成由通式（1）表示：AmB（1-m）（1）其中，A由通式（2）表示，B至少选自通式（3）或（4）表示的单体单元组成的群体，m的值大于或等于0.01且小于1:1。其中n的值为0到10，k的值为3或5，R至少选自通式（5）到（7）表示的群体中的一种：2在公式（5）中，R1选自氢原子（H）、卤素原子、—CN、—NO2、—CF3、—C2F5和—C3F7组成的群体，q为1到8之间的整数；在公式（6）中，R2选自氢原子（H）、卤素原子、—CN、—NO2、—CF3、—C2F5和—C3F7组成的群体，r为1到8之间的整数；在公式（7）中，R3选自氢原子（H）、卤素原子、—CN、—NO2、—CF3、—C2F5和—C3F7组成的群体，s为1到8之间的整数。同时还提供了高效的生产方法。
• Polyhydroxyalkanoates and method of producing them by utilizing mircroorganisms
  申请人：——

  公开号：US20010029039A1

  公开（公告）日：2001-10-11

  A microbial polyhydroxyalkanoate which comprises one or more of monomer units represented by Formula (1), 1 where R is at least one selected from the group represented by any one of Formulas (2), (3) and (4); 2 in Formula (2), R1 is selected from the group consisting of hydrogen atom (H), halogen atom, —CN, —NO 2 , —CF 3 , —C 2 F 5 and —C 3 F 7 , and q is an integer of 1 to 8; in Formula (3), R2 is selected from the group consisting of hydrogen atom (H), halogen atom, —CN, —NO 2 , —CF 3 , —C 2 F 5 and —C 3 F 7 , and r is an integer of 1 to 8; in Formula (4), R3 is selected from the group consisting of hydrogen atom (H), halogen atom, —CN, —NO 2 , —CF 3 , —C 2 F 5 and —C 3 F 7 , and s is an integer of 1 to 8. The production method is also disclosed.

  一种微生物聚羟基烷酸酯，包括由式（1）表示的单体单元中的一个或多个，其中R至少选自式（2）、（3）和（4）所表示的任一组中的一种；在式（2）中，R1选自氢原子（H）、卤素原子、—CN、—NO2、—CF3、—C2F5和—C3F7组成的一组中，q是1到8的整数；在式（3）中，R2选自氢原子（H）、卤素原子、—CN、—NO2、—CF3、—C2F5和—C3F7组成的一组中，r是1到8的整数；在式（4）中，R3选自氢原子（H）、卤素原子、—CN、—NO2、—CF3、—C2F5和—C3F7组成的一组中，s是1到8的整数。同时公开了生产方法。
• Process for producing polyhydroxyalkanoates by utilizing microorganisms
  申请人：——

  公开号：US20030180899A1

  公开（公告）日：2003-09-25

  A microbial polyhydroxyalkanoate which comprises one or more of monomer units represented by Formula (1), 1 where R is at least one selected from the group represented by any one of Formulas (2), (3) and (4); 2 in Formula (2), R1 is selected from the group consisting of hydrogen atom (H), halogen atom, —CN, —NO 2 , —CF 3 , —C 2 F 5 and —C 3 F 7 , and q is an integer of 1 to 8; in Formula (3), R2 is selected from the group consisting of hydrogen atom (H), halogen atom, —CN, —NO 2 , —CF 3 , —C 2 F 5 and —C 3 F 7 , and r is an integer of 1 to 8; in Formula (4), R3 is selected from the group consisting of hydrogen atom (H), halogen atom, —CN, —NO 2 , —CF 3 , —C 2 F 5 and —C 3 F 7 , and s is an integer of 1 to 8. The production method is also disclosed.

  一种微生物聚羟基脂肪酸酯，包括由公式（1）表示的单体单元中的一个或多个，其中R至少选自任一公式（2）、（3）和（4）所表示的组中之一；在公式（2）中，R1从氢原子（H）、卤素原子、—CN、—NO2、—CF3、—C2F5和—C3F7组成的组中选择，q为1至8的整数；在公式（3）中，R2从氢原子（H）、卤素原子、—CN、—NO2、—CF3、—C2F5和—C3F7组成的组中选择，r为1至8的整数；在公式（4）中，R3从氢原子（H）、卤素原子、—CN、—NO2、—CF3、—C2F5和—C3F7组成的组中选择，s为1至8的整数。还公开了生产方法。
• Particulate construct comprising polyhydroxyalkanoate and method for producing it
  申请人：——

  公开号：US20030194443A1

  公开（公告）日：2003-10-16

  The invention provides a particulate construct such as microcapsules containing a drug, and serving a slow releasing preparation not associated with a practically unacceptable initial burst release but showing a practically acceptable zero-order release for a certain period and a producing method for such particulate construct, and a slow releasing preparation of a high drug content capable of stably incorporating the drug in the particulate construct such as microcapsules, and a producing method for such preparation. The invention also provides a particulate construct such as microcapsules utilizing a highly functional polymer compound and incorporating oil phase and/or water phase in solid phase, and a producing method therefor. Furthermore, the invention provides a particulate construct such as microcapsules having a hollow structure of a single polymer membrane as the outer shell and capable of containing many bubbles in the fine particles, and a producing method capable of preparing such construct with a high reproducibility. According to the invention, a particulate construct such as microcapsules is formed with polyhydroxyalkanoate of a specified structure and a drug for a desired purpose, an oil phase and/or a water phase, or a gaseous phase is included in such construct.

  本发明提供了一种微粒构造物，例如包含药物的微胶囊，用作缓释制剂，不会出现实际上不可接受的初始爆发释放，但在一定时间内显示实际上可接受的零级释放，并提供了这种微粒构造物的制备方法，以及能够稳定地将药物纳入微粒构造物中，例如微胶囊的高药物含量的缓释制剂，以及这种制备方法。本发明还提供了一种利用高功能聚合物化合物并将油相和/或水相纳入固相的微粒构造物，以及其制备方法。此外，本发明还提供了一种具有单一聚合物膜的空心结构的微粒构造物，能够在细小的颗粒中包含许多气泡，并提供了一种能够高度重复制备这种构造物的制备方法。根据本发明，可使用具有特定结构的聚羟基烷酸酯和药物制备微粒构造物，该构造物中包含油相和/或水相或气态相。