mirabamide G | 1268813-05-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: mirabamide G
• 英文别名: (2R,3S,4S)-4-[[(2S,3S)-3-amino-2-[[(Z)-2-[[2-[[(4Z,6E)-2,3-dihydroxy-2,6,8-trimethyldeca-4,6-dienoyl]amino]acetyl]amino]but-2-enoyl]amino]butanoyl]amino]-N'-[(3R,6S,9S,15R,18R,19R,22S,24S)-24-chloro-6-[(1R)-1-hydroxyethyl]-3-[(R)-(4-hydroxyphenyl)-methoxymethyl]-15-(methoxymethyl)-7,9-dimethyl-2,5,8,11,14,17,21-heptaoxo-19-propan-2-yl-20-oxa-1,4,7,10,13,16-hexazabicyclo[20.4.0]hexacosan-18-yl]-2,3-dimethylpentanediamide
• CAS: 1268813-05-3
• 化学式: C₆₆H₁₀₂ClN₁₃O₂₀
• 分子量: 1433.06
• InChiKey: CHRQWEAARHYJPF-NAQDZKCESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  100
• 可旋转键数：
  26
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  497
• 氢给体数：
  15
• 氢受体数：
  21

反应信息

• 作为反应物：
  描述：

  mirabamide G 在 盐酸 、 水 作用下， 反应 17.0h， 生成 L-丙氨酸 、 N-甲基L-苏氨酸 、 (2S,4S)-4-chloropiperidine-2-carboxylic acid 、 (2S,3S)-2,3-Diamino-butyric acid 、 (R)-2-氨基-3-甲氧基丙酸 、 (2R,3R)-2-氨基-3-羟基-4-甲基-戊酸 、 (3S,4R)-3,4-dimethyl-L-glutamate
  参考文献：
  名称：

  Mirabamides E−H, HIV-Inhibitory Depsipeptides from the Sponge Stelletta clavosa

  摘要：

  Four new depsipeptides, mirabamides E-H (1-4), and the known depsipeptide mirabamide C (5) have been isolated from the sponge Stelletta clavosa, collected from the Torres Strait. The planar structures were determined on the basis of extensive 1D and 2D NMR and HRESIMS. The absolute configurations were established by the advanced Marfey's method, NMR, and GC-MS. The four new compounds all showed strong inhibition of HIV-1 in a neutralization assay with IC50 values of 121, 62, 68, and 41 nM, respectively.

  DOI：

  10.1021/np100613p

文献信息

• Mirabamides E−H, HIV-Inhibitory Depsipeptides from the Sponge <i>Stelletta clavosa</i>
  作者：Zhenyu Lu、Ryan M. Van Wagoner、Mary Kay Harper、Heather L. Baker、John N. A. Hooper、Carole A. Bewley、Chris M. Ireland

  DOI：10.1021/np100613p

  日期：2011.2.25

  Four new depsipeptides, mirabamides E-H (1-4), and the known depsipeptide mirabamide C (5) have been isolated from the sponge Stelletta clavosa, collected from the Torres Strait. The planar structures were determined on the basis of extensive 1D and 2D NMR and HRESIMS. The absolute configurations were established by the advanced Marfey's method, NMR, and GC-MS. The four new compounds all showed strong inhibition of HIV-1 in a neutralization assay with IC50 values of 121, 62, 68, and 41 nM, respectively.