1-[5'-(1-Hydroxy-undecyl)-[2,2']bifuranyl-5-yl]-undecan-1-ol | 380303-87-7

• 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: 1-[5'-(1-Hydroxy-undecyl)-[2,2']bifuranyl-5-yl]-undecan-1-ol
• CAS: 380303-87-7
• 化学式: C₃₀H₅₀O₄
• 分子量: 474.725
• InChiKey: VICKMDXHTWMNLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.67
• 重原子数：
  34.0
• 可旋转键数：
  21.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  66.74
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1-[5'-(1-Hydroxy-undecyl)-[2,2']bifuranyl-5-yl]-undecan-1-ol 在 三苯基膦 、 肼 、 偶氮二甲酸二乙酯 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 (1R)-1-[5-[5-[(1R)-1-aminoundecyl]furan-2-yl]furan-2-yl]undecan-1-amine
  参考文献：
  名称：

  NOVEL CLASS OF DNA BINDING MOTIFS BASED ON BISTETRAHYDROFURAN AND BISFURAN SKELETON WITH LONG ALKYL CHAINS

  摘要：

  Small molecules with DNA-binding affinity within the minor groove have become of great interest. In this paper, new DNA binding molecules; diamino-bistetrahydrofuran (bisTHF) and diamino-bisfuran are reported. The bisTHF ligand with RR configuration at the amino groups and C8 alkyl chains (RR8) stabilized GC-rich duplex. In contrast, bisfuran compounds stabilized AT-rich duplex. The binding affinity of RR8 with 12 mer duplex DNA was determined by isothermal titration calorimetry to be 3.3 x 10(8) M-1.

  DOI：

  10.1081/ncn-100002331
• 作为产物：
  描述：

  Decylmagnesium bromide 在 sodium tetrahydroborate 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 1-[5'-(1-Hydroxy-undecyl)-[2,2']bifuranyl-5-yl]-undecan-1-ol
  参考文献：
  名称：

  NOVEL CLASS OF DNA BINDING MOTIFS BASED ON BISTETRAHYDROFURAN AND BISFURAN SKELETON WITH LONG ALKYL CHAINS

  摘要：

  Small molecules with DNA-binding affinity within the minor groove have become of great interest. In this paper, new DNA binding molecules; diamino-bistetrahydrofuran (bisTHF) and diamino-bisfuran are reported. The bisTHF ligand with RR configuration at the amino groups and C8 alkyl chains (RR8) stabilized GC-rich duplex. In contrast, bisfuran compounds stabilized AT-rich duplex. The binding affinity of RR8 with 12 mer duplex DNA was determined by isothermal titration calorimetry to be 3.3 x 10(8) M-1.

  DOI：

  10.1081/ncn-100002331