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经验公式(希尔记法):
C24H20N3O3Cl
化学文摘社编号:
分子量:
433.89
NACRES:
NA.77
PubChem Substance ID:
UNSPSC Code:
12352200
MDL number:
Quality Segment
assay
≥98%
form
powder
solubility
chloroform: 10 mg/mL to clear, colorless to light yellow
shipped in
wet ice
storage temp.
−20°C
SMILES string
COc1ccc2n(c(C)c(CC(=O)Nc3cccnc3)c2c1)C(=O)c4ccc(Cl)cc4
InChI
1S/C24H20ClN3O3/c1-15-20(13-23(29)27-18-4-3-11-26-14-18)21-12-19(31-2)9-10-22(21)28(15)24(30)16-5-7-17(25)8-6-16/h3-12,14H,13H2,1-2H3,(H,27,29)
InChI key
DTAPHQYAZUTCIG-UHFFFAOYSA-N
Biochem/physiol Actions
Potent and selective reversible cyclooxygenase-2 (COX-2) inhibitor (IC50 = 0.1 μM, human recombinant); about 300-fold less potent as an inhibitor of human recombinant COX-1. Not as selective with natural ovine COX (IC50 = 75 μM for COX-1 and 50 μM for COX-2).
Potent and selective reversible cyclooxygenase-2 (COX-2) inhibitor. Not as selective with natural ovine COX.
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)