CL-82198 - Moligand™, 10mM in DMSO , Inhibitor of MMP13, CAS No.307002-71-7, Inhibitor of MMP13

CAS: 307002-71-7 Cat. No.: C423176 Summenformel: C₁₇H₂₂N₂O₃ Molekulargewicht: 302.37 EG-Nummer: 686-940-8

QUALITÄT & REINHEIT Moligand™, 10mM in DMSO

Synonyms

CL 82198 hydrochloride|N-(4-morpholinobutyl)benzofuran-2-carboxamide hydrochloride|N-[4-(4-Morpholinyl)butyl]-2-benzofurancarboxamide hydrochloride|N-[4-(MORPHOLIN-4-YL)BUTYL]-1-BENZOFURAN-2-CARBOXAMIDE HYDROCHLORIDE|N-[4-(MORPHOLIN-4-YL)BUTYL]-1-BENZOFURAN-2-CARBOXAMIDEHYDROCHLORIDE|CL-82198 hydrochloride|N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide;hydrochloride|CL 82198|CL-82198 CalBioChem Cat. No. 233105|N-(4-(4-Morpholinyl)butyl)-1-benzofuran-2-carboxamide hydrochloride (1:1)|Benzofuran-2-carboxylic acid (4-morpholin-4-yl-butyl)-amide

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

product description：

CL-82198 is a selective inhibitor of MMP-13. CL-82198 binds to the entire S1’ pocket of MMP-13, which is the basis for its selectivity towards MMP-13 and the lack of inhibitory activities against other MMPs. CL-82198 is a pharmacologic treatment for preventing osteoarthritis (OA) progression.

Spezifikationen

Synonyme

CL 82198 hydrochloride | N-(4-morpholinobutyl)benzofuran-2-carboxamide hydrochloride | N-[4-(4-Morpholinyl)butyl]-2-benzofurancarboxamide hydrochloride | N-[4-(MORPHOLIN-4-YL)BUTYL]-1-BENZOFURAN-2-CARBOXAMIDE HYDROCHLORIDE | N-[4-(MORPHOLIN-4-YL)BUTYL]-1-BENZOFURAN-2-CARBOXAMIDEHYDROCHLORIDE | CL-82198 hydrochloride | N-(4-morpholin-4-ylb Show more

Spezifikationen & Reinheit

Moligand™, 10mM in DMSO

Biochemische und physiologische Mechanismen

Selective MMP-13 inhibitor (IC 50 = 3.2 μM). Displays no activity against MMP-1, MMP-9 or TACE. Active in vivo .

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

Inhibitor of MMP13

Namen und Kennungen

Pubchem Sid

528763780

Kanonisches Lächeln

C1COCCN1CCCCNC(=O)C2=CC3=CC=CC=C3O2.Cl

IUPAC Name

N-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide;hydrochloride

InChIKey

PIOACXKZWXHBRB-UHFFFAOYSA-N

INCHI

1S/C17H22N2O3.ClH/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);1H

Isomere SMILES

C1COCCN1CCCCNC(=O)C2=CC3=CC=CC=C3O2.Cl

Molekulargewicht

302.37

Reaxy-Rn

25085313

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25085313&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzofurans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzofurans
• Alternative Parents: Furoic acid and derivatives 2-heteroaryl carboxamides Morpholines Benzenoids Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzofuran - 2-heteroaryl carboxamide - Furoic acid or derivatives - Morpholine - Oxazinane - Benzenoid - Furan - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Hydrochloride - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Zugehörige Ziele (menschlich)

MMP13 Tchem Collagenase 3 (0 Activities)

Discover Target: MMP13

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemische und physikalische Eigenschaften

• Molekulargewicht: 338.800 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 338.14 Da
• Monoisotopic Mass: 338.14 Da
• Topological Polar Surface Area: 54.700 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 358.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3