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经验公式(希尔记法):
C26H30ClNO4
化学文摘社编号:
分子量:
455.97
UNSPSC Code:
12352200
PubChem Substance ID:
EC Number:
201-185-2
MDL number:
Assay:
≥98% (HPLC)
Form:
methyl acetate solution
assay
≥98% (HPLC)
form
methyl acetate solution
potency
0.04 μM IC50 (for human recombinat COX-2)
shipped in
wet ice
storage temp.
−20°C
SMILES string
CCCCCCCOC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c3ccc(OC)cc13
InChI
1S/C26H30ClNO4/c1-4-5-6-7-8-15-32-25(29)17-22-18(2)28(24-14-13-21(31-3)16-23(22)24)26(30)19-9-11-20(27)12-10-19/h9-14,16H,4-8,15,17H2,1-3H3
InChI key
PYBCHCVNKGZCOH-UHFFFAOYSA-N
Application
Used to inhibit COX-1 and COX-2. To achieve 50% inhibition of human recombinant COX-2 use I7904 at 0.04 uM/mL .
Biochem/physiol Actions
Potent cyclooxygenase-2 inhibitor. 1700 times greater activity against COX-2 than COX-1.
Other Notes
Derivatized indomethacin.
signalword
Danger
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3
target_organs
Central nervous system
supp_hazards
存储类别
3 - Flammable liquids
wgk
WGK 3
flash_point_f
8.6 °F - closed cup
flash_point_c
-13 °C - closed cup

