301604
Ethyl 4-acetyl-5-oxohexanoate
98%
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About This Item
Linear Formula:
(CH3CO)2CHCH2CH2CO2C2H5
CAS Number:
Molecular Weight:
200.23
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22
Assay
98%
form
liquid
refractive index
n20/D 1.457 (lit.)
bp
153-154 °C/19 mmHg (lit.)
density
1.067 g/mL at 25 °C (lit.)
functional group
ester
ketone
SMILES string
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
Application
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
Storage Class Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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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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