233105

CL-82198

A selective inhibitor of MMP-13 (IC₅₀ = 10 µM).

• Synonym(s): CL-82198
• Empirical Formula (Hill Notation): C₁₇H₂₂N₂O₃ · xHCl
• CAS Number: 1188890-36-9
• Molecular Weight: 302.37 (free base basis)
• MDL number: MFCD09753278
• UNSPSC Code: 12352200
• NACRES: NA.77

Properties

• Quality Level: 100
• Assay: ≥97% (HPLC)
• form: solid
• manufacturer/tradename: Calbiochem^®
• storage condition: OK to freeze; desiccated (hygroscopic)
• color: light yellow
• solubility: water: 25 mg/mL
• shipped in: ambient
• storage temp.: −20°C
• SMILES string: Cl.N3(CCOCC3)CCCCNC(=O)c1[o]c2c(c1)cccc2
• InChI: 1S/C17H22N2O3.ClH/c20-17(16-13-14-5-1-2-6-15(14)22-16)18-7-3-4-8-19-9-11-21-12-10-19;/h1-2,5-6,13H,3-4,7-12H2,(H,18,20);1H
• InChI key: PIOACXKZWXHBRB-UHFFFAOYSA-N

Description

General description

A selective inhibitor of MMP-13 (IC₅₀ = 10 µM) that does not appear to act by chelating Zn²⁺. Binds within the entire S1′ pocket of MMP-13, docking with the morpholine ring adjacent to the catalytic zinc atom. Does not inhibit MMP-1, MMP-9, and TACE.

Biochem/physiol Actions

Cell permeable: no

Primary Target
MMP-13

Product does not compete with ATP.

Reversible: no

Target IC₅₀: 10 µM against MMP-13

Warning

Toxicity: Standard Handling (A)

Reconstitution

Following reconstitution, aliquot and freeze at -20°C. Stock solutions are stable for up to 3 months at -20°C.

Other Notes

Chen, J.M., et al. 2000. J. Am. Chem. Soc.122, 9648.

Legal Information

CALBIOCHEM is a registered trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 1
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable