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Key Documents

C9498

Sigma-Aldrich

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
MDL number:
UNSPSC Code:
12352200
PubChem Substance ID:
NACRES:
NA.77
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Quality Level

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.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Precautionary Statements

Hazard Classifications

Acute Tox. 4 Oral

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable


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