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HomeProduct name listCL 82198 HYDROCHLORIDE

CL 82198 HYDROCHLORIDE

CL 82198 HYDROCHLORIDE Structural

What is CL 82198 HYDROCHLORIDE?

Description

CL 82,198 is a selective inhibitor of human collagenase-3, also known as matrix metalloproteinase-13 (MMP-13), producing 89% inhibition at 10 μg/ml. It is without effect against MMP-1, MMP-9 or TNF-α converting enzyme. CL 82,198 is used to evaluate the role of MMP-13 in diverse processes, including cancer cell migration, acute lung injury, and joint degeneration associated with osteoarthritis.

The Uses of CL 82198 HYDROCHLORIDE

CL-82198 is a selective inhibitor of human collagenase-3, known as matrix metalloproteinase-13.

Biological Activity

Selective inhibitor of MMP-13 (89% inhibition at 10 μ g/mL) that displays no activity at MMP-1, MMP-9 or TACE. Inhibits in vitro invasion by the human pituitary adenoma cell line HP75.

Biochem/physiol Actions

CL-82198 is a selective inhibitor of MMP-13 that displays no activity at MMP-1, MMP-9 or TACE. It is also a selective S1′ pocket binder, binding within the entire S1′ pocket of MMP-13, docking with the morpholine ring adjacent to the catalytic zinc atom without zinc chelation.

in vitro

cl-82198 was identified as a weak inhibitor against mmp-13 and demonstrated no activity against mmp-1, mmp-9, or the related enzyme tace. bearing drug-like properties, cl-82198 was regarded as an ideal candidate for optimization of enzyme potency and selectivity. in nmr binding studies, it was shown that cl-82198 bound within the entire s1’ pocket of mmp-13, which was the basis of its selectivity against mmp-1, mmp-9, and tace [1].

in vivo

to investigate the contribution of mmp-13 down-regulation during gastroprotection by acetaminophen, the effects of cl-82198 on ibp-induced gastric damage were evaluated. results showed that cl-82198 decreased gastric lesions in a dose-dependent manner in the presence of ibp. compared with ibp administration alone, cl-82198 administered at 0.2 and 1.0 mg/kg resulted in 40.3% and 72.1% decrease in gastric lesion, respectively [1].

References

1) Chen, et al. (2000), Structure-based design of a novel, potent, and selective inhibitor for MMP-13 utilizing NMR spectroscopy and computer-aided molecular design; J. Am. Chem. Soc., 122 9648

Properties of CL 82198 HYDROCHLORIDE

Boiling point: 515.6±40.0 °C(Predicted)
Density  1.159±0.06 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMSO: >10mg/mL
form  powder
pka 14.19±0.46(Predicted)
color  white to off-white
Stability: Stable for 2 years from date of purchase as supplied. Solutions in DMSO may be stored at -20°C for up to 6 months.

Safety information for CL 82198 HYDROCHLORIDE

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for CL 82198 HYDROCHLORIDE

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