| Identification | Back 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 Properties | Back 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 Information | Back Directory | [Uses]
COX-2-IN-5 (compound 11a) is a potent COX-2 inhibitor with an IC50 value of 0.65 μM. COX-2-IN-5 has the potential for the research of inflammation[1]. | [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 | [IC 50]
COX-2: 0.65 μM (IC50) | [References]
[1] Palomer A, et al. Identification of novel cyclooxygenase-2 selective inhibitors using pharmacophore models. J Med Chem. 2002 Mar 28;45(7):1402-11. DOI:10.1021/jm010458r |
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