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Key Documents

450502

Sigma-Aldrich

2,2-双(4-羟基-3,5-二甲基苯基)丙烷

98%

同義詞:

四甲基双酚 A

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About This Item

線性公式:
(CH3)2C[C6H2(CH3)2OH]2
CAS號碼:
分子量::
284.39
EC號碼:
MDL號碼:
分類程式碼代碼:
12162002
PubChem物質ID:
NACRES:
NA.23

化驗

98%

mp

162-165 °C (lit.)

SMILES 字串

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 密鑰

ODJUOZPKKHIEOZ-UHFFFAOYSA-N

象形圖

Exclamation mark

訊號詞

Warning

危險聲明

危險分類

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

標靶器官

Respiratory system

儲存類別代碼

11 - Combustible Solids

水污染物質分類(WGK)

WGK 3

閃點(°F)

Not applicable

閃點(°C)

Not applicable

個人防護裝備

dust mask type N95 (US), Eyeshields, Gloves


分析證明 (COA)

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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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