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ChemicalBook--->CAS DataBase List--->416901-58-1

416901-58-1

416901-58-1 Structure

416901-58-1 Structure
IdentificationBack Directory
[Name]

COX-2 INHIBITOR I
[CAS]

416901-58-1
[Synonyms]

LM-1685
COX-2 INHIBITOR I
METHYL [5-METHYLSULFONYL-1-(4-CHLOROBENZYL)-1H-2-INDOLYL]CARBOXYLATE
1H-Indole-2-carboxylic acid, 1-[(4-chlorophenyl)methyl]-5-(methylsulfonyl)-, methyl ester
[Molecular Formula]

C18H16ClNO4S
[MDL Number]

MFCD04974157
[MOL File]

416901-58-1.mol
[Molecular Weight]

377.84
Chemical PropertiesBack Directory
[Melting point ]

177-179 °C
[Boiling point ]

604.3±55.0 °C(Predicted)
[density ]

1.35±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

methanol: 1mg/mL
DMSO: 100mg/mL
[form ]

solid
[color ]

white
Hazard InformationBack Directory
[Definition]

ChEBI: LM-1685 is an indolyl carboxylate ester that is methyl 1H-indole-2-carboxylate substituted by a 4-chlorobenzyl group at position 1 and a methylsulfonyl group at position 5. It acts as a selective inhibitor of cyclooxygenase 2. It has a role as a cyclooxygenase 2 inhibitor. It is an indolyl carboxylate ester, a sulfone, a member of monochlorobenzenes and a methyl ester.
[Biological Activity]

Cell permeable: yes''Primary Target
COX-2 from human monocytes''Product does not compete with ATP.''Reversible: no''Target IC50: 650 nM against COX-2 from human monocytes; 4.3 μM against COX-2 in whole blood
Spectrum DetailBack Directory
[Spectrum Detail]

COX-2 INHIBITOR I(416901-58-1)1HNMR
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