Pepluanin A

• 常用名: Pepluanin A
• 英文名: Pepluanin A
• CAS号: 670257-89-3
• 分子量: 821.863
• 密度: 1.3±0.1 g/cm3
• 沸点: 783.3±60.0 °C at 760 mmHg
• 分子式: C₄₃H₅₁NO₁₅
• 熔点: N/A
• 闪点: 427.5±32.9 °C

Pepluanin A用途

Pepluanin A 是从大戟中分离得到的天然化合物。Pepluanin A 显示出非常高的麻疯素二萜活性,在抑制 Pgp 介导的 Daunomycin (HY-13062A) 转运优于 Cyclosporin 至少2倍。

Pepluanin A名称

• 英文名: (Z)-3-(benzoyloxy)-13a-hydroxy-2,9,9,12-tetramethyl-5-methylene-8-(nicotinoyloxy)-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-1H-cyclopenta[12]annulene-2,4,6,7,13-pentayl pentaacetate

Pepluanin A生物活性

• 描述: Pepluanin A 是从大戟中分离得到的天然化合物。Pepluanin A 显示出非常高的麻疯素二萜活性,在抑制 Pgp 介导的 Daunomycin (HY-13062A) 转运优于 Cyclosporin 至少2倍。
• 相关类别:
  研究领域 >> 癌症
  信号通路 >> 跨膜转运 >> P-糖蛋白
• 参考文献:

  [1]. Corea G, et al. Jatrophane diterpenes as modulators of multidrug resistance. Advances of structure-activity relationships and discovery of the potent lead pepluanin A. J Med Chem. 2004;47(4):988-992.

Pepluanin A物理化学性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 783.3±60.0 °C at 760 mmHg
• 分子式: C₄₃H₅₁NO₁₅
• 分子量: 821.863
• 闪点: 427.5±32.9 °C
• 精确质量: 821.325867
• PSA: 217.22000
• LogP: 6.54
• InChIKey: SHDZRELSKRRBMR-BAHOPRNDSA-N
• SMILES: C=C1C(OC(C)=O)C(OC(C)=O)C(OC(=O)c2cccnc2)C(C)(C)C=CC(C)C(OC(C)=O)C2(O)CC(C)(OC(C)=O)C(OC(=O)c3ccccc3)C2C1OC(C)=O
• 外观性状: 粉末
• 蒸汽压: 0.0±2.8 mmHg at 25°C
• 折射率: 1.568
• 储存条件: 2-8℃，密封，避光

Pepluanin A安全信息

• 危害码 (欧洲): Xi

Pepluanin A英文别名

• 3-Pyridinecarboxylic acid, (2R,3R,3aS,4R,6S,7S,8S,10E,12S,13S,13aR)-2,4,6,7,13-pentakis(acetyloxy)-3-(benzoyloxy)-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-13a-hydroxy-2,9,9,12-tetramethyl-5-methylene-1H-cyclopentacyclododecen-8-yl ester
• (2R,3R,3aS,4R,6R,7S,8S,10Z,12S,13S,13aR)-2,4,6,7,13-Pentaacetoxy-3-(benzoyloxy)-13a-hydroxy-2,9,9,12-tetramethyl-5-methylene-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-1H-cyclopenta[12]annulen-8-yl nicotinate
• (2R,3R,3aS,4R,6S,7S,8S,10E,12S,13S,13aR)-2,4,6,7,13-Pentaacetoxy-3-(benzoyloxy)-13a-hydroxy-2,9,9,12-tetramethyl-5-methylene-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-1H-cyclopenta[12]annulen-8-yl nicotinate
• 3-Pyridinecarboxylic acid, (2R,3R,3aS,4R,6R,7S,8S,10Z,12S,13S,13aR)-2,4,6,7,13-pentakis(acetyloxy)-3-(benzoyloxy)-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-13a-hydroxy-2,9,9,12-tetramethyl-5-methylene-1H-cyclopentacyclododecen-8-yl ester