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安全信息

301604

Sigma-Aldrich

4-乙酰基-5-氧己酸乙酯

98%

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About This Item

线性分子式:
(CH3CO)2CHCH2CH2CO2C2H5
CAS号:
2832-10-2
分子量:
200.23
MDL编号:
MFCD00009211
UNSPSC代码:
12352100
PubChem化学物质编号:
24858200
NACRES:
NA.22

方案

98%

表单

liquid

折射率

n20/D 1.457 (lit.)

沸点

153-154 °C/19 mmHg (lit.)

密度

1.067 g/mL at 25 °C (lit.)

官能团

ester
ketone

SMILES字符串

CCOC(=O)CCC(C(C)=O)C(C)=O

InChI

1S/C10H16O4/c1-4-14-10(13)6-5-9(7(2)11)8(3)12/h9H,4-6H2,1-3H3

InChI key

YRSGDLIATOURQO-UHFFFAOYSA-N

应用

Ethyl 4-acetyl-5-oxohexanoate was used in synthesis of:
  • curcumin analogs having a long linker
  • [7-(4-hydroxy-3-methoxyphenyl)-4-[3-(4-hydroxy-3-methoxyphenyl)acryloyl]-5-oxohepta-4,6-dienoic acid ethyl ester], having potential antiandrogenic activity
  • [7-(4-hydroxy-3-methoxyphenyl)-4-[3-(4-hydroxy-3-methoxyphenyl)acryloyl]5-oxohepta-4,6-dienoic acid], having potential antiandrogenic activity

储存分类代码

10 - Combustible liquids

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

个人防护装备

Eyeshields, Gloves

法规信息

新产品

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
MKBC6955V
MKBC6955
09231JE
00609KY
12120LU

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Hironori Ohtsu et al.
Journal of medicinal chemistry, 45(23), 5037-5042 (2002-11-01)
A number of curcumin analogues were prepared and evaluated as potential androgen receptor antagonists against two human prostate cancer cell lines, PC-3 and DU-145, in the presence of androgen receptor (AR) and androgen receptor coactivator, ARA70. Compounds 4 [5-hydroxy-1,7-bis(3,4-dimethoxyphenyl)-1,4,6-heptatrien-3-one], 20
Li Lin et al.
Journal of medicinal chemistry, 49(13), 3963-3972 (2006-06-23)
In a continuing study of curcumin analogues as potential drug candidates to treat prostate cancer at both androgen-dependent and androgen-refractory stages, we designed and synthesized over 40 new analogues classified into four series: monophenyl analogues (series A), heterocycle-containing analogues (series

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