Jte 013
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Grundinformationen
- CAS
383150-41-2- Standard-SMILES
Cc1nn(C)c2nc(NNC(=O)Nc3cc(Cl)nc(Cl)c3)cc(C(C)C)c12- InChIKey
RNSLRQNDXRSASX-UHFFFAOYSA-N- Summenformel
- C17H19Cl2N7O
- Durchschnittliche Molmasse
- 408,293 g/mol
- Monoisotopische Masse
- 407,10281359
Namen und Bezeichner
- Bevorzugter Name
- Jte 013
- IUPAC
- N-(2,6-Dichloropyridin-4-yl)-2-[1,3-dimethyl-4-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridin-6-yl]hydrazine-1-carboxamide
- Englischer Name
- JTE-013
- Summenformel
- C17H19Cl2N7O
- Molmasse
- 408.29
Namen und Synonyme
CS-2553JTE-013 HClJTE 013 ，S7182JTE-013JTE 013JTE013JTE-013, 10 mM in DMSOLPL Receptor,Apoptosis,JTE-013,Inhibitor,Lysophospholipid Receptor,JTE 013,inhibit,JTE0131-(2,6-dichloro-4-pyridyl)-3-[(4-isopropyl-1,3-dimethyl-pyrazolo[3,4-b]pyridin-6-yl)amino]urea1-(2,6-dichloropyridin-4-yl)-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridin-6-yl)amino]urea1-(2,6-dichloropyridin-4-yl)-3-[(4-isopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-6-yl)amino]urea1-[1,3-Dimethyl-4-(2-methylethyl)-1H-pyrazolo[3,4-b]pyridin-6-yl]-4-(3,5-dichloro-4-pyridinyl)-semicarbazide
Datenbank-Bezeichner
- CAS
383150-41-2- PubChem CID
- 10223146
- DTXSID
DTXSID60436982- ChEMBL
CHEMBL1368758- EC Number
- 663-469-6
- Nikkaji
- J2.505.951D
Eigenschaften
Physikochemische Eigenschaften
- Dichte
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 20 mg/mL · DMSO: ≥20mg/mL
- Aggregatzustand
- powder
- pka
- 9.32 · 9.32±0.43(Predicted)
- Farbe
- white to off-white
- 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)
- InChIKey
- RNSLRQNDXRSASX-UHFFFAOYSA-N
- SMILES
- Clc1nc(cc(c1)NC(=O)NNc2nc3[n](nc(c3c(c2)C(C)C)C)C)Cl
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- 3
- ridadr
- UN 2811 6.1 / PGIII
- risk_code
- 25
- hazard_code
- T
- safety_code
- 45
- Speicherklasse
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- Acute Tox. 3 Oral
Chemie und Industrie
Anwendungen
BeschreibungSphingosine-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.
VerwendenJTE-013 has been used in in vitro bloodbrain barrier (BBB) and bloodtumor barrier (BTB) assays.
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