| Identification | Back Directory | [Name]
CL 82198 HYDROCHLORIDE | [CAS]
307002-71-7 | [Synonyms]
CL-82198
(CL82198
CL 82198 HYDROCHLORIDE
N-[4-(4-Morpholinyl)butyl]-2-benzofurancarboxamide
2-Benzofurancarboxamide, N-[4-(4-morpholinyl)butyl]-
N-(4-Morpholinobutyl)benzofuran-2-carboxamide hydrochloride
Benzofuran-2-carboxylic acid (4-morpholin-4-yl-butyl)-amide
N-[4-(4-MORPHOLINYL)BUTYL]-2-BENZOFURANCARBOXAMIDE HYDROCHLORIDE
N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide,hydrochloride | [Molecular Formula]
C17H22N2O3 | [MDL Number]
MFCD09753278 | [MOL File]
307002-71-7.mol | [Molecular Weight]
302.37 |
| Chemical Properties | Back Directory | [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. |
| Hazard Information | Back Directory | [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 |
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Sigma-Aldrich
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Musechem
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www.musechem.com |
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Twochem Co.Ltd.
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cn.twochem.com |
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