478199
3,5-双(甲氧基羰基)异氰酸苯酯
98%
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关于此项目
线性分子式:
OCNC6H3(CO2CH3)2
化学文摘社编号:
分子量:
235.19
UNSPSC Code:
12352100
PubChem Substance ID:
MDL number:
assay
98%
mp
106-109 °C (lit.)
SMILES string
COC(=O)c1cc(cc(c1)C(=O)OC)N=C=O
InChI
1S/C11H9NO5/c1-16-10(14)7-3-8(11(15)17-2)5-9(4-7)12-6-13/h3-5H,1-2H3
InChI key
JHCYWIFFIHXGAG-UHFFFAOYSA-N
General description
Dimethyl 5-isocyanatoisophthalate is an organic building block containing an isocyanate group.
Application
Dimethyl 5-isocyanatoisophthalate may be used as a starting material in the synthesis of dimethyl 5-(3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)ureido)isophthalate, a potential 14-3-3 protein-protein interaction (PPI) inhibitor.
signalword
Danger
Hazard Classifications
Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - 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
法规信息
新产品
此项目有
Koushik Sarkar et al.
Chemistry, an Asian journal, 14(1), 194-204 (2018-10-26)
A structural rationale was adopted to design a series of metallogels from a newly synthesized urea-functionalized dicarboxylate ligand, namely, 5-[3-(pyridin-3-yl)ureido]isophthalic acid (PUIA), that produces metallogels upon reaction with various metal salts (CuII , ZnII , CoII , CdII , and
Discovery of 14-3-3 Protein-Protein Interaction Inhibitors that Sensitize Multidrug-Resistant Cancer Cells to Doxorubicin and the Akt Inhibitor GSK690693.
Mori M, et al.
ChemMedChem, 9(5), 973-983 (2014)