Chemical Property of 1-(2,6-Dichloropyridin-4-yl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridin-6-yl)amino]urea
Chemical Property:
- PKA:9.32±0.43(Predicted)
- PSA：96.76000
- Density:1.50±0.1 g/cm3(Predicted)
- LogP:4.78740
- Storage Temp.:2-8°C
- Solubility.:DMSO: ≥20mg/mL
- XLogP3:4.4
- Hydrogen Bond Donor Count:3
- Hydrogen Bond Acceptor Count:5
- Rotatable Bond Count:4
- Exact Mass:407.1028136
- Heavy Atom Count:27
- Complexity:516
- Purity/Quality:
-
99% *data from raw suppliers
JTE013 *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:T
- Statements:
25
- Safety Statements:
45
- MSDS Files:
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SDS file from LookChem
Useful:
- Canonical SMILES:CC1=NN(C2=C1C(=CC(=N2)NNC(=O)NC3=CC(=NC(=C3)Cl)Cl)C(C)C)C
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Description
Sphingosine-1-phosphate (S1P) is a bioactive lipid that exhibits a broad spectrum of biological activities including cell proliferation, survival, migration, cytoskeletal organization, and morphogenesis. It exerts its activity by binding to five distinct G protein-coupled receptors, S1P1/EDG-1, S1P2/EDG-5, S1P3/EDG-3, S1P4/EDG-6, and S1P5/EDG-8. JTE-013 is a potent, selective sphingosine-1-phosphate 2 (S1P2) receptor antagonist that binds to the human and rat receptors with IC50 values of 17 and 22 nM, respectively, (IC50 values >10 μM for human S1P1 and S1P3). It reverses the inhibitory effects of S1P on cell migration of vascular endothelial cells and smooth muscle cells. Similarly, JTE-013 reverses the inhibition of S1P on invasion and migration of B16 melanoma cells. JTE-013 inhibits S1P-induced contraction of, as well as cyclic AMP accumulation in, coronary artery smooth muscle cells.
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Uses
JTE-013 has been used in in vitro blood?brain barrier (BBB) and blood?tumor barrier (BTB) assays.
