[CAS NO. 1401728-56-0] NE 52-QQ57
PRODUCTS SPECIFICATIONS [1401728-56-0]
DESCRIPTION [1401728-56-0]
Overview
| MDL | MFCD31813600 |
|---|---|
| Molecular Weight | 416.52 |
| Molecular Formula | C24H28N6O |
| SMILES | CCC1=NN(C(C)=CC(C)=N2)C2=C1CC3=CC=C(C4=NN=C(C5CCNCC5)O4)C=C3 |
2 Publications Citing Use of MCE
Summary
IC50 & Target
IC50: 70 nM (GPR4) [1] .
In Vitro
NE 52-QQ57 effectively blocks GPR4-mediated cAMP accumulation (IC 50 26.8 nM in HEK293 cells) [2] .
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
NE 52-QQ57 (Compound 13) shows a significant anti-inflammatory effect in the rat antigen induced arthritis model after oral administration at 30 mg/kg bid for 20 days [1] . NE 52-QQ57 (30 mg/kg bid po for 4 days) also prevents angiogenesis in the mouse chamber model as well as pain as demonstrated in the rat complete Freund’s adjuvant model [1] .
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
| Animal Model: | Female FVB mice (8-10 weeks) [1] |
| Dosage: | 30 mg/kg |
| Administration: | Oral, 4 days, bid |
| Result: | Treatment at 30 mg/kg p.o. bid starting on day 0, the day of the chamber implantation, showed a statistically significant reduction (46.8±10.6%) of tissue growth by day 4. The blood levels of 13 on day 4 at 2 and 16 h after compound application in this model were 9.03±2.87 and 0.09±0.06 μM [1] . |
| Animal Model: | Male Wistar Han rats [1] |
| Dosage: | 3, 10, and 30 mg/kg |
| Administration: | Oral, 20 days, bid |
| Result: | Displayed not only higher exposures in the rat AIA but also lower plasma protein binding in rat (95%) [1] . |
Appearance
Solid
Shipping
Room temperature in continental US; may vary elsewhere.
Storage
| Powder | -20°C | 3 years |
|---|---|---|
| 4°C | 2 years | |
| In solvent | -80°C | 6 months |
| -20°C | 1 month |
Solvent & Solubility
DMSO : 20 mg/mL ( 48.02 mM ; ultrasonic and warming and adjust pH to 5 with HCl and heat to 60°C)
Stock Solutions
| Concentration Solvent Mass | 1 mg | 5 mg | 10 mg |
|---|
| 1 mM | 2.4008 mL | 12.0042 mL | 24.0085 mL |
| 5 mM | 0.4802 mL | 2.4008 mL | 4.8017 mL |
| 10 mM | 0.2401 mL | 1.2004 mL | 2.4008 mL |
References
- [1] Velcicky J, et al. Development of Selective, Orally Active GPR4 Antagonists with Modulatory Effects on Nociception, Inflammation, and Angiogenesis. J Med Chem. 2017 May 11;60(9):3672-3683.
- [2] Hosford PS, et al. CNS distribution, signalling properties and central effects of G-protein coupled receptor 4. Neuropharmacology. 2018 Aug;138:381-392.