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| | CL 82198 HYDROCHLORIDE Basic information |
| Product Name: | CL 82198 HYDROCHLORIDE | | Synonyms: | CL 82198 HYDROCHLORIDE;N-[4-(4-MORPHOLINYL)BUTYL]-2-BENZOFURANCARBOXAMIDE HYDROCHLORIDE;N-[4-(4-Morpholinyl)butyl]-2-benzofurancarboxamide;N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide,hydrochloride;N-(4-Morpholinobutyl)benzofuran-2-carboxamide hydrochloride;Benzofuran-2-carboxylic acid (4-morpholin-4-yl-butyl)-amide;CL-82198
(CL82198;2-Benzofurancarboxamide, N-[4-(4-morpholinyl)butyl]- | | CAS: | 307002-71-7 | | MF: | C17H22N2O3 | | MW: | 302.37 | | EINECS: | | | Product Categories: | Protease inhibitor;Angiogenesis and Metastasis | | Mol File: | 307002-71-7.mol |  |
| | CL 82198 HYDROCHLORIDE Chemical Properties |
| 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 | | pka | 14.19±0.46(Predicted) | | form | powder | | 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. |
| Hazard Codes | Xn | | Risk Statements | 22 | | WGK Germany | 3 |
| | CL 82198 HYDROCHLORIDE Usage And Synthesis |
| 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. | | Uses | 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]. | | IC 50 | 89% inhibition at 10μg/ml | | 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 |
| | CL 82198 HYDROCHLORIDE Preparation Products And Raw materials |
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