CAS: 1522004-70-1; Aphadilactone C

英文名称Aphadilactone C
IUPAC名称(6S,6'S)-6,6'-((1E,1'E)-((4S,7S)-4-(5,5-dimethyl-4-oxo-4,5-dihydrofuran-2-yl)-2,2-dimethyl-3-oxo-2,3,4,5,6,7-hexahydrobenzofuran-4,7-diyl)bis(2-methylpent-1-ene-5,1-diyl))bis(4-methyl-5,6-dihydro-2H-pyran-2-one)
其它别名Aphadilactone C; 3(2H)-Benzofuranone, 4-(4,5-Dihydro-5,5-Dimethyl-4-Oxo-2-Furanyl)-4,7-Bis[(4E)-5-[(2S)-3,6-Dihydro-4-Methyl-6-Oxo-2H-Pyran-2-Yl]-4-Methyl-4-Penten-1-Yl]-4,5,6,7-Tetrahydro-2,2-Dimethyl-, (4S,7S)-
CAS编号1522004-70-1
MFCD编号:MFCD28385954
分子式:C40H52O8分子量:660.85
产品CID: 745564
产品分类Inhibitors/Agonists → Metabolic Enzyme → DGAT | Inhibitors/Agonists → Metabolic Enzyme → ACAT

相似结构搜索
InChIKey: ZFQFRRMVMSIOAK-DZSKZOOYSA-N
InChI=1S/C40H52O8/c1-24(17-29-19-26(3)21-33(42)45-29)11-9-13-28-14-16-40(32-23-31(41)38(5,6)47-32,35-36(28)48-39(7,8)37(35)44)15-10-12-25(2)18-30-20-27(4)22-34(43)46-30/h
计算化学: 氢键受体数8.0氢键供体数*可旋转键数11.0

物理性质

沸点815.4±65.0 °C at 760 mmHg
闪点328.5±34.3 °C
密度1.2±0.1 g/cm3
PSA:105.2
LogP:8.0334
产品应用该化合物是一种强效和选择性的DGAT-1抑制剂(IC50=0.46 微克/米),并显示出重要的抗疟活动(IC 50=170纳米/米).

上下游产品

(2S,6S)-2-((E)-2-iodoprop-1-en-1-yl)-6-isopropoxy-4-methyl-3,6-dihydro-2H-pyran tributyl((E)-1-((2S,6S)-6-isopropoxy-4-methyl-3,6-dihydro-2H-pyran-2-yl)prop-1-en-2-yl)stannane tert-butyl(((E)-7-((2S,6S)-6-isopropoxy-4-methyl-3,6-dihydro-2H-pyran-2-yl)-6-methylhept-6-en-1-yl)oxy)dimethylsilane (E)-7-((2S,6S)-6-isopropoxy-4-methyl-3,6-dihydro-2H-pyran-2-yl)-6-methylhept-6-en-1-ol

合成工艺路线路线简述

合成目标产物 Aphadilactone C 主要起始原料 Ethanamine, N-[(3,5-Dichlorophenyl)Methylene]-2,2-Diethoxy-
(文献来源)合成步骤主要原料 Ethanamine, N-[(3,5-Dichlorophenyl)Methylene]-2,2-Diethoxy-