IWP-O1 - 10mM in DMSO , CAS No.2074607-48-8

CAS: 2074607-48-8 Cat. No.: I422517 Formule: C₂₆H₂₀N₆O Poids moléculaire: 432.48

GRADE & PURITY 10mM in DMSO

Synonyms

1H-​1,​2,​3-​Triazole-​1-​acetamide,5-​phenyl-​N-​(5-​phenyl-​2-​pyridinyl)​-​4-​(4-​pyridinyl)​-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

Information

IWP-O1 IWP-O1 is a porcn inhibitor with an EC50 value of 80 pM in a cultured cell reporter assay of Wnt signaling and effectively suppresses the phosphorylation of Dvl2/3 in HeLa cells.

Targets

porcn (Cell-based assay) 80 pM(EC50)

In vitro

IWP-O1 has significantly improved metabolic stability.

Cell Research(from reference)

Cell lines：HeLa cells 

Concentrations：1 μM 

Incubation Time：24 h 

Specifications

Synonymes

1H-​1,​2,​3-​Triazole-​1-​acetamide,5-​phenyl-​N-​(5-​phenyl-​2-​pyridinyl)​-​4-​(4-​pyridinyl)​-

Spécifications et pureté

10mM in DMSO

Mécanismes biochimiques et physiologiques

IWP-O1 is a porcn inhibitor with an EC50 value of 80 pM in a cultured cell reporter assay of Wnt signaling and effectively suppresses the phosphorylation of Dvl2/3 in HeLa cells.

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Noms et identifiants

Pubchem Sid

528764927

Sourires canoniques

C1=CC=C(C=C1)C2=CN=C(C=C2)NC(=O)CN3C(=C(N=N3)C4=CC=NC=C4)C5=CC=CC=C5

IUPAC Name

N-(5-phenylpyridin-2-yl)-2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetamide

InChIKey

GYYDQHBKIHQHEB-UHFFFAOYSA-N

INCHI

1S/C26H20N6O/c33-24(29-23-12-11-22(17-28-23)19-7-3-1-4-8-19)18-32-26(21-9-5-2-6-10-21)25(30-31-32)20-13-15-27-16-14-20/h1-17H,18H2,(H,28,29,33)

Isomères SMILES

C1=CC=C(C=C1)C2=CN=C(C=C2)NC(=O)CN3C(=C(N=N3)C4=CC=NC=C4)C5=CC=CC=C5

Poids moléculaire

432.48

Reaxy-Rn

30435058

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30435058&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass N-arylamides

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: N-arylamides
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylamides
• Alternative Parents: 2-halopyridines Imidolactams Benzene and substituted derivatives Triazoles Heteroaromatic compounds Carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-arylamide - 2-halopyridine - Imidolactam - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - 1,2,3-triazole - Azole - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-arylamides. These are organic compounds that contain a carboxamide group that is N-linked to a aryl group. They have the generic structure RC(=O)N(R')H, R = organyl group and R'= aryl group.
• 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

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 432.500 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 432.17 Da
• Monoisotopic Mass: 432.17 Da
• Topological Polar Surface Area: 85.600 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 614.000
• 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