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LM-1685

CAT: 0013-GTR19193755-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193755-01Size:1 mg
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Description
LM-1685 is a potent and selective COX-2 inhibitor, demonstrating an IC50 of 0.65 μM in human monocytes and 4.3 μM in whole blood assays. This small molecule is a candidate for anti-inflammatory research, supporting investigations into COX-2-mediated pathways in both cellular and systemic models.
CAS Number
416901-58-1
Product Name Alternative
COX-2, LM1685, LM-1685, LM 1685
Field of Research
Immunology & Inflammation, Neuroscience
Purity
98.16% (May vary between batches)
Solubility
Methanol:0.9 mg/mL (2.38 mM) ; DMSO:90 mg/mL (238.2 mM)
Smiles
C (N1C=2C (C=C1C (OC) =O) =CC (S (C) (=O) =O) =CC2) C3=CC=C (Cl) C=C3
Molecular Formula
C18H16ClNO4S
Molecular Weight
377.84
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

LM-1685

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 a methyl ester, a sulfone, an indolyl carboxylate ester and a member of monochlorobenzenes.

CAS Number416901-58-1
PubChem CID10068193
IUPAC Namemethyl 1-[(4-chlorophenyl)methyl]-5-methylsulfonylindole-2-carboxylate
Molecular FormulaC18H16ClNO4S
Molecular Weight377.8
XLogP3.6
Topological Polar Surface Area73.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity582
SMILES
COC(=O)C1=CC2=C(N1CC3=CC=C(C=C3)Cl)C=CC(=C2)S(=O)(=O)C
InChI
InChI=1S/C18H16ClNO4S/c1-24-18(21)17-10-13-9-15(25(2,22)23)7-8-16(13)20(17)11-12-3-5-14(19)6-4-12/h3-10H,11H2,1-2H3
InChIKey
UBZBOEWMQPWUKB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of LM-1685
CAS: 416901-58-1
CID: 10068193
Formula: C18H16ClNO4S
MW: 377.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.8
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass377.0488569
Monoisotopic Mass377.0488569
Topological Polar Surface Area73.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity582
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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