4-[(6-aminohexyl)amino]-4-oxobutanoic acid | 66410-31-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 4-[(6-aminohexyl)amino]-4-oxobutanoic acid
• 英文别名: 4-(6-Aminohexylamino)-4-oxobutanoic acid；4-(6-aminohexylamino)-4-oxobutanoic acid
• CAS: 66410-31-9
• 化学式: C₁₀H₂₀N₂O₃
• 分子量: 216.28
• InChiKey: PSFIXGKTSAOQDI-UHFFFAOYSA-N

物化性质

• 熔点：
  200 °C
• 沸点：
  464.0±30.0 °C(Predicted)
• 密度：
  1.093±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.8
• 重原子数：
  15
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  92.4
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-[(6-aminohexyl)amino]-4-oxobutanoic acid 在 碳酸氢钠 、 N,N'-二环己基碳二亚胺 作用下， 以 N-甲基吡咯烷酮 、 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 N-{6-[5-(2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoylamino]-hexyl}-succinamic acid 2,5-dioxo-pyrrolidin-1-yl ester
  参考文献：
  名称：

  Krishna Murthy; Ram Reddy, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2006, vol. 45, # 11, p. 2512 - 2522

  摘要：

  DOI：
• 作为产物：
  描述：

  丁二酸酐 、 1,6-己二胺 以 四氢呋喃 为溶剂， 以78 %的产率得到4-[(6-aminohexyl)amino]-4-oxobutanoic acid
  参考文献：
  名称：

  香紫苏醇和阿霉素的新型混合化合物作为胶质母细胞瘤的潜在抗癌纳米疗法

  摘要：

  通过将香紫苏醇 (SC) 和阿霉素 (DOX) 组合成单个分子实体，开发出了两种新型混合化合物 CON1 和 CON2。这些杂化化合物共价连接的 SC 和 DOX 的摩尔比为 1:1。它们已表现出有前景的抗癌特性，尤其是在胶质母细胞瘤细胞中，并且还显示出治疗表达 P-糖蛋白 (P-gp) 膜转运蛋白的多重耐药 (MDR) 癌细胞的潜力。通过 Zetasizer、透射电子显微镜 (TEM) 和化学建模证实，CON1 和 CON2 形成纳米颗粒。 TEM 还显示 CON1 和 CON2 存在于胶质母细胞瘤细胞中，特别是在细胞质、不同细胞器、细胞核和核仁中。为了检查抗癌特性，使用了 U87 胶质母细胞瘤细胞系及其相应的多重耐药 U87-TxR 细胞系，以及患者来源的星形细胞瘤 3 级细胞 (ASC)，同时使用正常人肺成纤维细胞来确定选择性。实时细胞分析、DNA 损伤测定、细胞死亡诱导、线粒体呼吸和线粒体膜去极化研究证明，CON1

  DOI：

  10.1016/j.biopha.2024.116496

文献信息

• Detection of glucose in solutions also containing an alpha-hydroxy acid or a beta-diketone
  申请人：——

  公开号：US20030082663A1

  公开（公告）日：2003-05-01

  Compositions and methods for determining the presence or concentration of glucose in a sample which may also contain an alpha-hydroxy acid or a beta-diketone. The method uses a compound having at least two recognition elements for glucose, oriented such that the interaction between the compound and glucose is more stable than the interaction between the compound and the alpha-hydroxy acid or beta-diketone, such that the presence of the alpha-hydroxy acid or the beta-diketone does not substantially interfere with said determination.

  用于测定样品中葡萄糖的存在或浓度的组合物和方法，样品中可能还含有α-羟基酸或β-二酮。该方法使用的化合物至少有两个葡萄糖识别元素，其方向使该化合物与葡萄糖之间的相互作用比该化合物与α-羟基酸或β-二酮之间的相互作用更稳定，从而使α-羟基酸或β-二酮的存在不会对上述测定产生实质性干扰。
• DETECTION OF GLUCOSE IN SOLUTIONS ALSO CONTAINING AN ALPHA-HYDROXY ACID OR A BETA-DIKETONE
  申请人：Sensors for Medicine and Science, Inc.

  公开号：EP1490359B1

  公开（公告）日：2010-05-19
• US6800451B2
  申请人：——

  公开号：US6800451B2

  公开（公告）日：2004-10-05
• US7078554B2
  申请人：——

  公开号：US7078554B2

  公开（公告）日：2006-07-18
• HYBRID COMPOUNDS OF SCLAREOL AND DOXORUBICIN, THEIR SYNTHESIS AND APPLICATION
  申请人：[en]INSTITUTE FOR BIOLOGICAL RESEARCH "SINISA STANKOVIC"- NATIONAL INSTITUTE OF THE REPUBLIC OF SERBIA, UNIVERSITY OF BELGRADE

  公开号：WO2024107075A1

  公开（公告）日：2024-05-23

  The invention represents new hybrid compounds of two natural products sclareol and doxorubicin in the form of their conjugates. These compounds are in the form of conjugates, where doxorubicin and sclareol are covalently linked by a linker in a 1:1 molar ratio. The hybrids have shown to possess anticancer properties and are effective in treating resistant cancer cells that have P-glycoprotein membrane transporter, responsible for resistance to doxorubicin. The hybrids have been tested on different types of cell lines, including human glioblastoma, non-small cell lung carcinoma, and colorectal carcinoma. Also, a method for their preparation and their use in medical products or pharmaceutical preparations has been determined. The results of the study include the cytotoxic activity of single, combined, and conjugated compounds in pairs of sensitive and resistant cancer cells, with and without P-glycoprotein expression. The selectivity towards cancer cells was determined by comparing with commercially available normal human lung fibroblast cells. The study also investigated the nanoparticle nature of hybrid compounds, their intracellular localization and toxicity in vivo.