YS121 Struktur

YS121

Bezeichnung:YS121

CAS-Nr916482-17-2

Englisch Name:YS121

CBNumberCB92592892

SummenformelC20H26ClN3O2S

Molgewicht407.96

MOL-Datei916482-17-2.mol

YS121 physikalisch-chemischer Eigenschaften

Siedepunkt	557.4±50.0 °C(Predicted)
Dichte	1.25±0.1 g/cm3(Predicted)
storage temp.	Store at -20°C
Löslichkeit	≤30mg/ml in ethanol;30mg/ml in DMSO;30mg/ml in dimethyl formamide
pka	3.04±0.21(Predicted)
Aggregatzustand	solution in acetate.

Gefahreninformationscode (GHS)

YS121 Chemische Eigenschaften,Einsatz,Produktion Methoden

Beschreibung
Microsomal prostaglandin E₂ synthase-1 (mPGES-1), with cyclooxygenase-2 (COX-2), synthesizes PGE₂, which is directly involved in signaling during inflammation, fever, and pain. 5-Lipoxygenase (5-LO) initiates the synthesis of leukotrienes (LTs), which are pro-inflammatory mediators. YS-121 is a dual inhibitor of mPGES-1 (IC₅₀ = 3.9 μM) and 5-LO (IC₅₀ = 4.1 μM). It effectively inhibits PGE₂ and LT synthesis in both cell free and intact cell assays. Moreover, YS-121 (1.5 mg/kg, intraperitoneal) reduced pleural levels of PGE₂ and LTB₄ while blocking exudate formation and leukocyte infiltration in carrageenan-induced rat pleurisy. YS-121 has minor effects on COX-1 and COX-2, inhibiting these enzymes 24.8% and 38%, respectively, at 10 μM.
Definition
ChEBI: Octanoic acid, 2-[[4-chloro-6-[(2,3-dimethylphenyl)amino]-2-pyrimidinyl]thio]- is a medium-chain fatty acid.
Einzelnachweise
[1] koeberle a, zettl h, greiner c, et al. pirinixic acid derivatives as novel dual inhibitors of microsomal prostaglandin e2 synthase-1 and 5-lipoxygenase[j]. journal of medicinal chemistry, 2008, 51(24): 8068-8076.
[2] mehrotra s, morimiya a, agarwal b, et al. microsomal prostaglandin e2 synthase‐1 in breast cancer: a potential target for therapy[j]. the journal of pathology, 2006, 208(3): 356-363.werz o, greiner c, koeberle a, et al. novel and potent inhibitors of 5-lipoxygenase product synthesis based on the structure of pirinixic acid[j]. journal of medicinal chemistry, 2008, 51(17): 5449-5453.koeberle a, rossi a, zettl h, et al. the molecular pharmacology and in vivo activity of 2-(4-chloro-6-(2, 3-dimethylphenylamino) pyrimidin-2-ylthio) octanoic acid (ys121), a dual inhibitor of microsomal prostaglandin e2 synthase-1 and 5-lipoxygenase[j]. journal of pharmacology and experimental therapeutics, 2010, 332(3): 840-848.

YS121 Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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