WAY-262611 - 10mM in DMSO , CAS No.1123231-07-1

CAS: 1123231-07-1 Cat. No.: W420644 Formula: C₂₀H₂₂N₄ Peso molecolare: 318.42 PubChem CID: 25199517

QUALITÀ & PUREZZA 10mM in DMSO

Synonyms

BML-WN1104-​Piperidinemethanamin​e,1-​[4-​(2-​naphthalenyl)​-​2-​pyrimidinyl]​-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

Information

WAY-262611 WAY-262611 (BML-WN110, Compound 5) is a beta-catenin (β-Catenin) agonist that increases bone formation rate with EC50 of 0.63 μM in TCF-Luciferase assay. WAY-262611 is also an inhibitor of dickkopf 1 (DKK1) .

Targets

DKK1 ; β-Catenin (TCF-Luciferase assay) ; 0.63 μM(EC50)

In vitro

WAY-262611, the DKK1 inhibitor, blocks DKK1 and restores the GDF5 reduced MMP13 gene expression.

In vivo

WAY-262611 has excellent pharmacokinetic properties and shows a dose dependent increase in the trabecular bone formation rate in ovariectomized rats following oral administration.

Cell Research(from reference)

Cell lines：Surplus human chondrocytes 

Concentrations：0.01 μM, 0.1 μM, 1 μM 

Incubation Time：21 days 

Specifiche

Sinonimi

BML-WN1104-​Piperidinemethanamin​e,1-​[4-​(2-​naphthalenyl)​-​2-​pyrimidinyl]​-

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

WAY-262611 (BML-WN110, Compound 5) is a beta-catenin (β-Catenin) agonist that increases bone formation rate with EC50 of 0.63 μM in TCF-Luciferase assay. WAY-262611 is also an inhibitor of dickkopf 1 (DKK1).

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.

Nomi e identificatori

Pubchem Sid

528767737

Sorrisi canonici

C1CN(CCC1CN)C2=NC=CC(=N2)C3=CC4=CC=CC=C4C=C3

IUPAC Name

[1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl]methanamine

InChIKey

QHLITPHIARVDJI-UHFFFAOYSA-N

INCHI

1S/C20H22N4/c21-14-15-8-11-24(12-9-15)20-22-10-7-19(23-20)18-6-5-16-3-1-2-4-17(16)13-18/h1-7,10,13,15H,8-9,11-12,14,21H2

Isomeri SMILES

C1CN(CCC1CN)C2=NC=CC(=N2)C3=CC4=CC=CC=C4C=C3

PubChem CID

25199517

Peso molecolare

318.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Dialkylarylamines Aminopyrimidines and derivatives Piperidines Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthalene - Dialkylarylamine - Aminopyrimidine - Piperidine - Pyrimidine - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Primary amine - Amine - Organonitrogen compound - Organopnictogen compound - Primary aliphatic amine - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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)

DKK1 Tchem Dickkopf-related protein 1 (1 Activities)

Discover Target: DKK1

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

GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

Discover Target: GSK3B

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

HepG2 (196354 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Liver microsomes (16955 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

DKK1 Tchem Dickkopf-related protein 1 (93 Activities)

Discover Target: DKK1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Obiettivi associati (non umani)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 318.400 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 318.184 Da
• Monoisotopic Mass: 318.184 Da
• Topological Polar Surface Area: 55.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 393.000
• 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: 1