CL 82198 HYDROCHLORIDE
- CAS No.
- 307002-71-7
- Chemical Name:
- CL 82198 HYDROCHLORIDE
- Synonyms
- CL-82198 (CL82198;CL 82198 hydrochlori;CL 82198 HYDROCHLORIDE;CL-82198, 10 mM in DMSO;CL-82198 >=98% (HPLC), powder;N-(4-Morpholinobutyl)benzofuran-2-carboxamide;N-[4-(4-Morpholinyl)butyl]-2-benzofurancarboxamide;2-Benzofurancarboxamide, N-[4-(4-morpholinyl)butyl]-;CL-82198, Matrix metalloprotinase -13 (MMP-13) inhibitor;Benzofuran-2-carboxylic acid (4-morpholin-4-yl-butyl)-amide
- CBNumber:
- CB42450342
- Molecular Formula:
- C17H22N2O3
- Molecular Weight:
- 302.37
- MDL Number:
- MFCD09753278
- MOL File:
- 307002-71-7.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Product description | Number | Pack Size | Price |
| CL-82198 ≥98% (HPLC), powder | C9498 | 5mg | $99.2 |
| CL-82198 ≥98% (HPLC), powder | C9498 | 25mg | $409 |
| CL 82,198 ≥95% | 16928 | 5mg | $69 |
| CL 82,198 ≥95% | 16928 | 10mg | $127 |
| CL 82,198 ≥95% | 16928 | 25mg | $297 |
| More product size | |||
| 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. |
| InChI | 1S/C17H22N2O3/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) |
| InChIKey | KUJQEQAVMNFFAO-UHFFFAOYSA-N |
| SMILES | O=C(NCCCCN1CCOCC1)c2cc3ccccc3o2 |
| UNSPSC Code | 12352200 |
| NACRES | NA.77 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |  GHS07 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Warning | |||||||||
| Hazard statements | H302 | |||||||||
| Precautionary statements | P280-P305+P351+P338 | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 22 | |||||||||
| WGK Germany | 3 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Acute Tox. 4 Oral | |||||||||
| NFPA 704 |
|
CL 82198 HYDROCHLORIDE price More Price(55)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | C9498 | CL-82198 ≥98% (HPLC), powder | 307002-71-7 | 5mg | $99.2 | 2026-04-30 | Buy |
| Sigma-Aldrich | C9498 | CL-82198 ≥98% (HPLC), powder | 307002-71-7 | 25mg | $409 | 2026-04-30 | Buy |
| Cayman Chemical | 16928 | CL 82,198 ≥95% | 307002-71-7 | 5mg | $69 | 2026-04-30 | Buy |
| Cayman Chemical | 16928 | CL 82,198 ≥95% | 307002-71-7 | 10mg | $127 | 2026-04-30 | Buy |
| Cayman Chemical | 16928 | CL 82,198 ≥95% | 307002-71-7 | 25mg | $297 | 2026-04-30 | Buy |
CL 82198 HYDROCHLORIDE Chemical Properties,Uses,Production
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] JAMES M. CHEN. Structure-Based Design of a Novel, Potent, and Selective Inhibitor for MMP-13 Utilizing NMR Spectroscopy and Computer-Aided Molecular Design[J]. Journal of the American Chemical Society, 2000, 122 40: 9648-9654. DOI:10.1021/ja001547g
CL 82198 HYDROCHLORIDE Preparation Products And Raw materials
Raw materials
Preparation Products
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| ATK CHEMICAL COMPANY LIMITED | +undefined-21-51877795 | ivan@atkchemical.com | China | 32997 | 60 |
| TargetMol Chemicals Inc. | +1-781-999-5354; +1-00000000000 | marketing@targetmol.com | United States | 32431 | 58 |
| Career Henan Chemica Co | +86-0371-86658258 +86-13203830695 | laboratory@coreychem.com | China | 30203 | 58 |
| BOC Sciences | 16314854226; +8616314854226 | inquiry@bocsci.com | United States | 19852 | 58 |
| Aladdin Scientific | tp@aladdinsci.com | United States | 54746 | 58 | |
| Amadis Chemical Company Limited | 571-89925085 | sales@amadischem.com | China | 131885 | 58 |
| 3B Pharmachem (Wuhan) International Co.,Ltd. | 18930552037 | 3bsc@sina.com | China | 15813 | 69 |
| VDM Biochemicals | 0330-2528181 | sales@vdmbio.com | United States | 510 | 64 |
| Haoyuan Chemexpress Co., Ltd. | 021-58950125 | info@chemexpress.com | China | 7545 | 61 |
| AdooQ BioScience, LLC | +1 (866) 930-6790 | info@adooq.com | United States | 2774 | 58 |
