1-[2-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]-6-oxo-1,6-dihydro-pyridine-3-carbonitrile

Synonym(s):1-[2-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]-6-oxo-1,6-dihydro-pyridine-3-carbonitrile

CAS NO.：1449747-00-5
Empirical Formula: C21H19N3O2
Molecular Weight: 345.39
MDL number: MFCD28100815
Update Date: 2025-12-10 09:00:29

1-[2-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]-6-oxo-1,6-dihydro-pyridine-3-carbonitrile Structural

What is 1-[2-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]-6-oxo-1,6-dihydro-pyridine-3-carbonitrile?

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.

The Uses of 1-[2-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]-6-oxo-1,6-dihydro-pyridine-3-carbonitrile

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.

Storage

Store at +4°C

Properties of 1-[2-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]-6-oxo-1,6-dihydro-pyridine-3-carbonitrile

Boiling point:	580.5±50.0 °C(Predicted)
Density	1.16±0.1 g/cm3(Predicted)
storage temp.	2-8°C
solubility	DMSO: soluble20mg/mL, clear
pka	-2.80±0.70(Predicted)
form	powder
color	white to beige

Safety information for 1-[2-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]-6-oxo-1,6-dihydro-pyridine-3-carbonitrile

Signal word	Danger
Pictogram(s)	Corrosion Corrosives GHS05 Skull and Crossbones Acute Toxicity GHS06
GHS Hazard Statements	H301:Acute toxicity,oral H318:Serious eye damage/eye irritation
Precautionary Statement Codes	P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for 1-[2-(1-Benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxo-ethyl]-6-oxo-1,6-dihydro-pyridine-3-carbonitrile

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