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

CAS: 307002-71-7 Cat. No.: C423176 Formula: C₁₇H₂₂N₂O₃ Peso molecolare: 302.37 Numero EC: 686-940-8

QUALITÀ & PUREZZA 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

Panoramica

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.

Specifiche

Sinonimi

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 Mostra altro

Specifiche e purezza

Moligand™, 10mM in DMSO

Meccanismi biochimici e fisiologici

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

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

INHIBITOR

Meccanismo d'azione

Inhibitor of MMP13

Nomi e identificatori

Pubchem Sid

528763780

Sorrisi canonici

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

Isomeri SMILES

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

Peso molecolare

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
    • Classe Benzofurans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

MMP13 Tchem Collagenase 3 (0 Activities)

Discover Target: MMP13

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

Proprietà chimiche e fisiche

• Peso molecolare: 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