1449747-00-5

Basic information

• Product Name: 1-[2-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]-6-oxo-1,6-dihydro-pyridine-3-carbonitrile
• Synonyms: 1-[2-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]-6-oxo-1,6-dihydro-pyridine-3-carbonitrile;CYM-5520
• CAS NO: 1449747-00-5
• Molecular Formula: C₂₁H₁₉N₃O₂
• Molecular Weight: 345.39446
• Mol File: 1449747-00-5.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 580.5±50.0 °C(Predicted)
• Appearance: white to beige/
• Density: 1.16±0.1 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• Solubility: DMSO: soluble20mg/mL, clear
• PKA: -2.80±0.70(Predicted)
• CAS DataBase Reference: 1-[2-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]-6-oxo-1,6-dihydro-pyridine-3-carbonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 1-[2-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]-6-oxo-1,6-dihydro-pyridine-3-carbonitrile(1449747-00-5)
• EPA Substance Registry System: 1-[2-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]-6-oxo-1,6-dihydro-pyridine-3-carbonitrile(1449747-00-5)

Safety Data

• Hazard Codes: T
• Statements: 25-41
• Safety Statements: 26-39-45
• RIDADR: UN 2811 6.1 / PGIII
• WGK Germany: 3
• Hazardous Substances Data: 1449747-00-5(Hazardous Substances Data)

Usage

Description

Sphingosine-1-phosphate (S1P; ) is an extracellular lipid mediator whose major effects are mediated through five distinct G protein-coupled receptors, S1P1/EDG-1, S1P2/EDG-5, S1P3/EDG-3, S1P4/EDG-6, and S1P5/EDG-8. S1P2 has been implicated in multiple biological functions, including Rho activation, inhibition of Rac and cell migration, and in “feed forward” autocrine signaling in NF-κB survival signaling of tumor cells. CYM 5520 is a noncompetitive allosteric agonist of S1P2 (EC50 = 0.48 μM) that does not display agonist activity towards S1P1, S1P3, S1P4, or S1P5.

Uses

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

Biochem/physiol Actions

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.

Upstream product

• 610274-26-5 1-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-chloroethan-1-one 

Relevant articles and documents

PYRIDINONE- AND PYRIDAZINONE-BASED COMPOUNDS AND MEDICAL USES THEREOF

The various examples presented herein are directed to compounds of the formula A-L1-Het1-L2-Cy1 or a pharmaceutical acceptable salt, polymorph, prodrug, solvate or clathrate thereof, wherein: A is cycloalkyl, aryl, arylalkyl or heterocyclyl; Het1 is heterocyclyl containing at least two heteroatoms; Cy1 is a heterocyclyl; L1 is a bond, alkyl, alkenyl or alkynyl linker; L2 is an acyl or alkyl linker; and A and Cy1 are different. The compounds are useful in the treatment of fibrotic diseases, abnormal vascular leak and pathological angiogenesis.