N^α-[(guanin-9-yl)acetyl]-N^G-(2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-sulfonyl)-L-arginine | 886208-57-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N^α-[(guanin-9-yl)acetyl]-N^G-(2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-sulfonyl)-L-arginine
• CAS: 886208-57-7
• 化学式: C₂₆H₃₅N₉O₇S
• 分子量: 617.686
• InChiKey: LGYKSFJWOVBVSR-INIZCTEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.19
• 重原子数：
  43.0
• 可旋转键数：
  10.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  247.27
• 氢给体数：
  7.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  N^α-[(guanin-9-yl)acetyl]-N^G-(2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-sulfonyl)-L-arginine 在 WSC*HCl 、 三氟乙酸 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 6'-N-[N^α-[(guanin-9-yl)acetyl]-D-arginyl]neamine
  参考文献：
  名称：

  Neamine derivatives having a nucleobase with a lysine or an arginine as a linker, their synthesis and evaluation as potential inhibitors for HIV TAR–Tat

  摘要：

  Neamine derivatives hearing a nucleobase, adenine, cytosine. guanine or thymine with a lysine or an arginine as a linker have been synthesized and its potential as the inhibitor for HIV TAR-Tat interaction examined. Among them, modified neamine having an arginine-nucleobase showed a higher inhibition than that of the one having a lysine-nuclcobase. The difference of the nucleobase anchor did not characterize inhibition specificity. Also, stereochemistry of the amino acid in the compounds causes no difference in the inhibition for TAR-Tat. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.11.056
• 作为产物：
  描述：

  2-(2-氨基-6-氧代-3H-嘌呤-9-基)乙酸 在 sodium hydroxide 、 N,N-二异丙基乙胺 、 bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 生成 N^α-[(guanin-9-yl)acetyl]-N^G-(2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-sulfonyl)-L-arginine
  参考文献：
  名称：

  Neamine derivatives having a nucleobase with a lysine or an arginine as a linker, their synthesis and evaluation as potential inhibitors for HIV TAR–Tat

  摘要：

  Neamine derivatives hearing a nucleobase, adenine, cytosine. guanine or thymine with a lysine or an arginine as a linker have been synthesized and its potential as the inhibitor for HIV TAR-Tat interaction examined. Among them, modified neamine having an arginine-nucleobase showed a higher inhibition than that of the one having a lysine-nuclcobase. The difference of the nucleobase anchor did not characterize inhibition specificity. Also, stereochemistry of the amino acid in the compounds causes no difference in the inhibition for TAR-Tat. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.11.056