CL 82198 HYDROCHLORIDE
- CAS NO.:307002-71-7
- Empirical Formula: C17H22N2O3
- Molecular Weight: 302.37
- MDL number: MFCD09753278
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-19 20:33:22
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) |
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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