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40456-50-6

中文名稱 (-)-反式-3-(3,4-亞甲基二氧基芐基)-2-(3,4,5-三甲氧基芐基)丁內(nèi)酯
英文名稱 (3R)-3α-(3,4,5-Trimethoxybenzyl)-4β-(1,3-benzodioxole-5-ylmethyl)tetrahydrofuran-2-one
CAS 40456-50-6
分子式 C22H24O7
分子量 400.42
MOL 文件 40456-50-6.mol
更新日期 2025/10/17 11:59:06
40456-50-6 結(jié)構(gòu)式 40456-50-6 結(jié)構(gòu)式

基本信息

中文別名
亞太因
(-)-反式-3-(3,4-亞甲基二氧基芐基)-2-(3,4,5-三甲氧基芐基)丁內(nèi)酯
英文別名
Yatein
YatapoxvirusYatein
(+)-Deoxypodorhizon
(-)-Deoxypodorhizone
(-)-trans-3-(3,4-Methylenedioxybenzyl)-2-(3,4,5-trimethoxybenzyl)butyrolactone
(3R)-3α-(3,4,5-Trimethoxybenzyl)-4β-(1,3-benzodioxole-5-ylmethyl)tetrahydrofuran-2-one
(3R,4R)-3-(3,4,5-Trimethoxybenzyl)-4-(1,3-benzodioxole-5-ylmethyl)tetrahydrofuran-2-one
(3R,4R)-3-(3,4,5-Trimethoxybenzyl)-4-[(1,3-benzodioxol-5-yl)methyl]dihydrofuran-2(3H)-one
(3S)-4,5-Dihydro-3β-(3,4,5-trimethoxybenzyl)-4α-(1,3-benzodioxol-5-ylmethyl)furan-2(3H)-one
(3S)-3β-(3,4,5-Trimethoxybenzyl)-4α-[(1,3-benzodioxole-5-yl)methyl]-4,5-dihydrofuran-2(3H)-one
所屬類別
天然產(chǎn)物:木脂素

物理化學(xué)性質(zhì)

沸點564.9±45.0 °C(Predicted)
密度1.266±0.06 g/cm3(Predicted)
儲存條件-20°C儲存
溶解度溶于二甲基亞砜
形態(tài)固體
顏色Colorless to light yellow
InChI1S/C22H24O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,8-10,15-16H,6-7,11-12H2,1-3H3/t15-,16+/m0/s1
InChIKeyGMLDZDDTZKXJLU-JKSUJKDBSA-N
SMILESO1C[C@@H]([C@H](C1=O)Cc4cc(c(c(c4)OC)OC)OC)Cc2cc3c(cc2)OCO3

安全數(shù)據(jù)

WGK GermanyWGK 3
存儲類別11 - Combustible Solids

常見問題列表

生物活性
Yatein 是從 A. chilensis 中提取的木質(zhì)素,具有抗增殖活性。Yatein 能通過中斷立早基因的表達(dá),抑制單純皰疹病毒 1 型 (HSV-1) 的復(fù)制。
靶點

HSV-1

體外研究

Yatein induces cell-cycle arrest at G2/M phase (5 μM; 24 hours) and enhances G2/M phase-related protein expression (5 μM; 6-12 hours) in human lung adenocarcinoma A549 and CL1-5 cells.
Yatein (5 μM; 6-12 hours) induces DNA damage through activation of the ATM/ATR pathway in human A549 and CL1-5 cells.
Yatein (5 μM; 6 hours) affects microtubule dynamics by inhibiting tubulin polymerization.

Cell Viability Assay

Cell Line: A549 cells, CL1-5 cells
Concentration: 1.25 μM , 2.5 μM , 5 μM
Incubation Time: 24 hours
Result: Induced cell-cycle arrest at G2/M phase in both cell lines.

Cell Viability Assay

Cell Line: A549 cells, CL1-5 cells
Concentration: 5 μM
Incubation Time: 6 hours, 12 hours
Result: Upregulated the expression of cyclin B1, but not Cdc2 and Cdc25c, induced Cdc2 phosphorylation.
體內(nèi)研究

Yatein (20 mg/kg; i.p.; five times per week; for 42 days) exhibits in vivo antitumor effects in a human lung adenocarcinoma xenograft mouse model.

Animal Model: Male NOD/SCID mice (6-8 weeks), with A549 cells xenograft
Dosage: 20 mg/kg
Administration: Intraperitoneal injection, five times per week, for 42 days
Result: Significantly slowed tumor growth and moderately increased both cyclin B1 expression and Cdc2 phosphorylation.
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