233105
CL-82198
A selective inhibitor of MMP-13 (IC50 = 10 µM).
Synonym(s):
CL-82198
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About This Item
Empirical Formula (Hill Notation):
C17H22N2O3 · xHCl
CAS Number:
Molecular Weight:
302.37 (free base basis)
MDL number:
UNSPSC Code:
12352200
NACRES:
NA.77
Assay:
≥97% (HPLC)
Form:
solid
Storage condition:
OK to freeze, desiccated (hygroscopic)
Quality Segment
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
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
MMP-13
Product does not compete with ATP.
Reversible: no
Target IC50: 10 µM against MMP-13
Preparation Note
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
Disclaimer
Toxicity: Standard Handling (A)
Storage Class
11 - Combustible Solids
wgk
WGK 1
flash_point_f
Not applicable
flash_point_c
Not applicable
Certificates of Analysis (COA)
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