[(3R,4Z,6E)-5-ethyl-3-methyl-7-[(2S,3S)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]hepta-4,6-dienyl] 10-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]decanoate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 生物素及其衍生物
• 英文名称: [(3R,4Z,6E)-5-ethyl-3-methyl-7-[(2S,3S)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]hepta-4,6-dienyl] 10-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]decanoate
• 化学式: C₃₆H₅₇N₃O₆S
• 分子量: 659.931
• InChiKey: KUTKZWWYLULYOG-DJHMZGROSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  46
• 可旋转键数：
  23
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  148
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  methyl 10-aminodecanoate 在 lithium hydroxide 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 生成 [(3R,4Z,6E)-5-ethyl-3-methyl-7-[(2S,3S)-3-methyl-6-oxo-2,3-dihydropyran-2-yl]hepta-4,6-dienyl] 10-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]decanoate
  参考文献：
  名称：

  New Rev-transport inhibitor with anti-HIV activity from Valerianae Radix

  摘要：

  Bioassay-guided separation by use of the fission yeast expressing NES of Rev, a HIV-1 viral regulatory protein, resulted in isolation of valtrate (1) as a new Rev-transport inhibitor from the nucleus to cytoplasm from Valerianae Radix. Valtrate (1) also inhibited the p-24 production of HIV-1 virus without showing any cytotoxicity against the host MT-4 cells. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00624-8

文献信息

• New Rev-transport inhibitor with anti-HIV activity from Valerianae Radix
  作者：Nobutoshi Murakami、Ying Ye、Motoyuki Kawanishi、Shunji Aoki、Nobuaki Kudo、Minoru Yoshida、Emi E. Nakayama、Tatsuo Shioda、Motomasa Kobayashi

  DOI：10.1016/s0960-894x(02)00624-8

  日期：2002.10

  Bioassay-guided separation by use of the fission yeast expressing NES of Rev, a HIV-1 viral regulatory protein, resulted in isolation of valtrate (1) as a new Rev-transport inhibitor from the nucleus to cytoplasm from Valerianae Radix. Valtrate (1) also inhibited the p-24 production of HIV-1 virus without showing any cytotoxicity against the host MT-4 cells. (C) 2002 Elsevier Science Ltd. All rights reserved.