117021
2-Methyl-1,3-cyclopentanedione
99%
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About This Item
Linear Formula:
CH3C5H5(=O)2
CAS Number:
Molecular Weight:
112.13
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
212-153-2
Beilstein/REAXYS Number:
1237255
MDL number:
Product Name
2-Methyl-1,3-cyclopentanedione, 99%
InChI key
HXZILEQYFQYQCE-UHFFFAOYSA-N
InChI
1S/C6H8O2/c1-4-5(7)2-3-6(4)8/h4H,2-3H2,1H3
SMILES string
CC1C(=O)CCC1=O
assay
99%
mp
212-215 °C (lit.)
functional group
ketone
Quality Level
Gene Information
human ... ACHE(43), BCHE(590), CES1(1066)
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Application
2-Methyl-1,3-cyclopentanedione hs been used to explore deoxycholic acid (DCA) induced changes in cell signaling. DCA is a secondary bile acid implicated in numerous pathological conditions. It has also been used in the synthesis of (-)-curcumanolide A and (-)-curcumalactone by aldol-lactonization.
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
Regulatory Information
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Carolyn A Leverett et al.
Journal of the American Chemical Society, 134(32), 13348-13356 (2012-08-03)
Dyotropic rearrangements of fused, tricyclic β-lactones are described that proceed via unprecedented stereospecific, 1,2-acyl migrations delivering bridged, spiro-γ-butyrolactones. A unique example of this dyotropic process involves a fused bis-lactone possessing both β- and δ-lactone moieties which enabled rapid access to
Bryson W Katona et al.
The Journal of organic chemistry, 72(24), 9298-9307 (2007-10-26)
Deoxycholic acid (DCA) is an endogenous secondary bile acid implicated in numerous pathological conditions including colon cancer formation and progression and cholestatic liver disease. DCA involvement in these disease processes results partly from its ability to modulate signaling cascades within
Randy M Wadkins et al.
Journal of medicinal chemistry, 48(8), 2906-2915 (2005-04-15)
Carboxylesterases (CE) are ubiquitous enzymes responsible for the metabolism of xenobiotics. Because the structural and amino acid homology among esterases of different classes, the identification of selective inhibitors of these proteins has proved problematic. Using Telik's target-related affinity profiling (TRAP)
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