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Merck
CN

450502

Sigma-Aldrich

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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About This Item

线性分子式:
(CH3)2C[C6H2(CH3)2OH]2
CAS号:
分子量:
284.39
EC 号:
MDL编号:
UNSPSC代码:
12162002
PubChem化学物质编号:
NACRES:
NA.23

质量水平

方案

98%

mp

162-165 °C (lit.)

SMILES字符串

Cc1cc(cc(C)c1O)C(C)(C)c2cc(C)c(O)c(C)c2

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

InChI key

ODJUOZPKKHIEOZ-UHFFFAOYSA-N

象形图

Exclamation mark

警示用语:

Warning

危险声明

危险分类

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

靶器官

Respiratory system

储存分类代码

11 - Combustible Solids

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

个人防护装备

dust mask type N95 (US), Eyeshields, Gloves


历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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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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