450502
2,2-双(4-羟基-3,5-二甲基苯基)丙烷
98%
别名:
四甲基双酚 A
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关于此项目
线性分子式:
(CH3)2C[C6H2(CH3)2OH]2
化学文摘社编号:
分子量:
284.39
NACRES:
NA.23
PubChem Substance ID:
UNSPSC Code:
12162002
EC Number:
227-033-5
MDL number:
产品名称
2,2-双(4-羟基-3,5-二甲基苯基)丙烷, 98%
InChI key
ODJUOZPKKHIEOZ-UHFFFAOYSA-N
InChI
1S/C19H24O2/c1-11-7-15(8-12(2)17(11)20)19(5,6)16-9-13(3)18(21)14(4)10-16/h7-10,20-21H,1-6H3
SMILES string
Cc1cc(cc(C)c1O)C(C)(C)c2cc(C)c(O)c(C)c2
assay
98%
mp
162-165 °C (lit.)
Quality Level
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Joel Deye et al.
Bioorganic & medicinal chemistry, 17(3), 1353-1360 (2009-01-02)
A public compound library with 260,000 compounds was screened virtually by computational docking for novel inhibitors of the transmembrane enzyme sarco/endoplasmic reticulum calcium ATPase (SERCA). Docking was performed with the program GOLD in conjunction with a high resolution X-ray crystal
Christopher Elam et al.
European journal of medicinal chemistry, 46(5), 1512-1523 (2011-03-01)
Two screening protocols based on recursive partitioning and computational ligand docking methodologies, respectively, were employed for virtual screens of a compound library with 345,000 entries for novel inhibitors of the enzyme sarco/endoplasmic reticulum calcium ATPase (SERCA), a potential target for
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