C9498
CL-82198
≥98% (HPLC), powder
Synonym(s):
N-[4-(4-Morpholinyl)butyl]-2-benzofurancarboxamide
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About This Item
Empirical Formula (Hill Notation):
C17H22N2O3
CAS Number:
Molecular Weight:
302.37
NACRES:
NA.77
PubChem Substance ID:
UNSPSC Code:
12352200
MDL number:
Assay:
≥98% (HPLC)
Form:
powder
Quality Segment
assay
≥98% (HPLC)
form
powder
color
white to off-white
solubility
DMSO: >10 mg/mL
originator
Wyeth
storage temp.
2-8°C
SMILES string
O=C(NCCCCN1CCOCC1)c2cc3ccccc3o2
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)
InChI key
KUJQEQAVMNFFAO-UHFFFAOYSA-N
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.
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.
Features and Benefits
This compound was developed by Wyeth. To browse the list of other pharma-developed compounds and Approved Drugs/Drug Candidates, click here.
Signal Word
Warning
Hazard Codes
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral
Storage Class
11 - Combustible Solids
WGK
WGK 3
Flash Point (°F)
Not applicable
Flash Point (°C)
Not applicable
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