| Chemical & Physical Properties | |
|---|---|
| CAS Number | 383150-41-2 |
| Catalog No. | 2A-1171154 |
| Chinese Name | JTE-013 |
| Synonyms | JTE-013; HMS3269A03; S1P2 Receptor Antagonist,JTE-013; pyrazolopyridine analog |
| Molecular Formula | C17H19Cl2N7O |
| Molecular Weight | 408.285 |
| Purity | 98.00 |
| Density | 1.5±0.1 g/cm3 |
| Appearance | powder |
| Storage Condition | -20℃ |
| Application | JTE-013 is a potent and selective S1P2 (sphingosine 1-phosphate 2) antagonist. JTE-013 inhibits the specific binding of radiolabeled S1P to human and rat S1P2 with IC50s of 17 nM and 22 nM, respective |
| PubChem ID | 15224120 |
| SMILES | Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(C(C)C)c12 |
| InChI | InChI=1S/C17H19Cl2N7O/c1-8(2)11-7-14(22-16-15(11)9(3)25-26(16)4)23-24-17(27)20-10-5-12(18)21-13(19)6-10/h5-8H,1-4H3,(H,22,23)(H2,20,21,24,27) |
| InChI Key | RNSLRQNDXRSASX-UHFFFAOYSA-N |
| Hazard Symbols | transportation |
| MSDS | msds/171340_2_383150_41_2.pdf |
| Bioactivity | JTE-013 is a potent and specific S1P2 (Sphingosine-1-Phosphate 2; EDG-5) antagonist. JTE-013 inhibits the specific binding of radiolabeled S1P to human and rat S1P2 with IC50s of 17 nM and 22 nM, respectively[1]. Related Catalog Signaling Pathways >> Apoptosis >> Apoptosis Research Areas >> Cancer Target IC50: 17 nM (S1P2 for human) and 22 nM (S1P2 for rat)[1] In Vitro JTE-013 (50-200 μM; 1-3 days) reduced cell viability[1]. JTE-013 (10-1000 nM; 30 mins) reverses S1P-induced Akt inhibition and inhibits S1P-induced ERK activation[1]. JTE-013 displays 4.2% inhibition of S1P3 and does not antagonize S1P1 at concentrations up to 10 μM[1]. Cell Viability Assay[1] Cell Line: SK-N-AS cells Concentration: 50, 100, 150, 200 μM Incubation Time: 1-3 days Result: Reduced cell viability. Western Blot Analysis[1] Cell Line: SK-N-AS cells Concentration: 10, 100, 1000 nM Incubation Time: 30 mins Result: Reversed S1P-induced Akt inhibition and inhibited S1P-induced ERK activation. In Vivo JTE-013 (gavage; 30 mg/kg daily for 14 consecutive days) reduces tumor size and tumor weight[1]. Animal Model: Six-week-old female athymic NCr-nu/nu nude mice[1] Dosage: 30 mg/kg Administration: Gavage; daily for 14 consecutive days Result: Reduced tumor size and tumor weight. References [1]. Li MH, et al. Antitumor Activity of a Novel Sphingosine-1-Phosphate 2 Antagonist, AB1, in Neuroblastoma. J Pharmacol Exp Ther. 2015 Sep;354(3):261-8. Chemical & Physical Properties Density 1.5±0.1 g/cm3 Molecular Formula C17H19Cl2N7O Molecular Weight 408.285 Exact Mass 407.102814 PSA 96.76000 LogP 4.42 Index of Refraction 1.697 InChIKey RNSLRQNDXRSASX-UHFFFAOYSA-N SMILES Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(C(C)C)c12 Storage condition -20℃ |
| Use of | JTE-013 is a potent and specific S1P2 (Sphingosine-1-Phosphate 2; EDG-5) antagonist. JTE-013 inhibits the specific binding of radiolabeled S1P to human and rat S1P2 with IC50s of 17 nM and 22 nM, respectively[1]. Properties Name 1-(2,6-dichloropyridin-4-yl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridin-6-yl)amino]urea Synonym More Synonyms JTE 013 Biological Activity Description JTE-013 is a potent and specific S1P2 (Sphingosine-1-Phosphate 2; EDG-5) antagonist. JTE-013 inhibits the specific binding of radiolabeled S1P to human and rat S1P2 with IC50s of 17 nM and 22 nM, respectively[1]. Related Catalog Signaling Pathways >> Apoptosis >> Apoptosis Research Areas >> Cancer IC50: 17 nM (S1P2 for human) and 22 nM (S1P2 for rat)[1] References [1]. Li MH, et al. Antitumor Activity of a Novel Sphingosine-1-Phosphate 2 Antagonist, AB1, in Neuroblastoma. J Pharmacol Exp Ther. 2015 Sep;354(3):261-8. Chemical & Physical Properties Exact Mass 407.102814 PSA 96.76000 Index of Refraction 1.697 InChIKey RNSLRQNDXRSASX-UHFFFAOYSA-N Storage condition -20℃ |
| Transport Info | Product name: Purity: 98.0% |
| MSDS Transport Info | Module 14. Shipping information 14.1 UN dangerous goods number European Dangerous Regulations for land transport: 2811 International Dangerous Regulations for sea transport: 2811 International Dangerous Regulations for air transport: 2811 14.2 Names specified by the United Nations (UN) European Land Transport Dangerous Regulations: TOXIC SOLID, ORGANIC, N.O.S. (JTE-013) IMDG Code: TOXIC SOLID, ORGANIC, N.O.S. (JTE-013) International air transport hazard regulations: Toxic solid, organic, n.o.s. (JTE-013) 14.3 Transport hazard categories European Land Transport Danger Regulations: 6.1 International Maritime Transport Danger Regulations: 6.1 International Air Transport Danger Regulations: 6.1 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Dangerous Regulations: No International Maritime Transport Dangerous Regulations Maritime Pollutants: No International Air Transport Risk Regulations: No 14.6 Special reminder to users No data available |
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