M37935
2-甲基-1,3-环己二酮
97%
别名:
1-甲基-2,6-环己二酮
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线性分子式:
CH3C6H7(=O)2
化学文摘社编号:
分子量:
126.15
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
214-773-9
Beilstein/REAXYS Number:
1281598
MDL number:
产品名称
2-甲基-1,3-环己二酮, 97%
InChI key
VSGJHHIAMHUZKF-UHFFFAOYSA-N
InChI
1S/C7H10O2/c1-5-6(8)3-2-4-7(5)9/h5H,2-4H2,1H3
SMILES string
CC1C(=O)CCCC1=O
assay
97%
mp
206-208 °C (lit.)
Quality Level
Gene Information
human ... ACHE(43), BCHE(590), CES1(1066)
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Application
重要原料，例如菖蒲螺酮的表观合成。
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
The Journal of Organic Chemistry, 58, 2972-2972 (1993)
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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