GRADE & PURITY Moligand™, 10mM in DMSO

Synonyms

E71601 | HY-100953 | 1449747-00-5 | 1-(2-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl)-6-oxo-1,6-dihydropyridine-3-carbonitrile | EX-A4979 | CYM 5520 | AKOS027470179 | NCGC00402238-03 | A899257 | pyrrol-3-yl)-2-oxo-ethyl]-6-oxo- | ZHC74700 | AC-36598

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Product description：

CYM-5520 has been used as a sphingosine 1-phosphate receptor 2 (S1pr2) agonist in pancreatic adenocarcinoma cell line (CFPAC-1).

Application：

CYM-5520 is a specific, noncompetitive allosteric agonist of sphingosine 1-phosphate receptor 2 (S1PR2; EC50 = 1.0 μM). The compound CYM-5520 does not show any agonsit activity towards S1PR1, S1PR3, S1PR4 or S1PR5.

CYM-5520 mediates phosphorylation of transcription factor p65. It upregulates trabecular number, thickness as well as tibial bone volume density in osteoblasts.

Specifications

Sinónimos

E71601 | HY-100953 | 1449747-00-5 | 1-(2-(1-Benzyl-2, 5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl)-6-oxo-1, 6-dihydropyridine-3-carbonitrile | EX-A4979 | CYM 5520 | AKOS027470179 | NCGC00402238-03 | A899257 | pyrrol-3-yl)-2-oxo-ethyl]-6-oxo- | ZHC74700 | AC-36598

Especificaciones y pureza

Moligand™, 10mM in DMSO

Mecanismos bioquímicos y fisiológicos

Selective S1P2allosteric agonist (EC50= 0.48μM). Selective for S1P2receptors over a panel of 29 other receptors and transporters.

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

AGONIST

Mecanismo de acción

Agonist of S1P 2 receptor

Nombres e identificadores

• Sonrisas canónicas: CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C=C(C=CC3=O)C#N
• IUPAC Name: 1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-6-oxopyridine-3-carbonitrile
• InChIKey: FMYGNANMYYHBSU-UHFFFAOYSA-N
• INCHI: 1S/C21H19N3O2/c1-15-10-19(16(2)24(15)13-17-6-4-3-5-7-17)20(25)14-23-12-18(11-22)8-9-21(23)26/h3-10,12H,13-14H2,1-2H3
• Isómeros SMILES: CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C=C(C=CC3=O)C#N
• Peso molecular: 345.39
• Reaxy-Rn: 23944389
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23944389&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass 3-pyridinecarbonitriles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: 3-pyridinecarbonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: 3-pyridinecarbonitriles
• Alternative Parents: Aryl alkyl ketones Pyridinones Dihydropyridines Substituted pyrroles Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Lactams Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-pyridinecarbonitrile - Aryl alkyl ketone - Aryl ketone - Dihydropyridine - Pyridinone - Monocyclic benzene moiety - Hydropyridine - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Pyrrole - Ketone - Lactam - Carbonitrile - Nitrile - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 3-pyridinecarbonitriles. These are organic compounds containing a pyridine ring substituted at the 3-position by a carbonitrile 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

Objetivos asociados (humanos)

S1PR2 Tchem Sphingosine 1-phosphate receptor 2 (0 Activities)

Discover Target: S1PR2

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

Propiedades químicas y físicas

• Peso molecular: 345.400 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 345.148 Da
• Monoisotopic Mass: 345.148 Da
• Topological Polar Surface Area: 66.100 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 666.000
• 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