5-[4-Phenyl-5-(trifluoromethyl)-2-thienyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

Base Information

• Chemical Name: 5-[4-Phenyl-5-(trifluoromethyl)-2-thienyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
• CAS No.: 256414-75-2
• Molecular Formula: C20H10F6N2OS
• Molecular Weight: 440.36
• Hs Code.: 2934999090
• European Community (EC) Number: 636-741-7
• DSSTox Substance ID: DTXSID80399085
• Nikkaji Number: J2.289.571K
• Wikidata: Q27088784
• Pharos Ligand ID: AXC21T1ACCV7
• ChEMBL ID: CHEMBL224720
• Mol file: 256414-75-2.mol

Synonyms:SEW-2871;SEW2871

Chemical Property of 5-[4-Phenyl-5-(trifluoromethyl)-2-thienyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

Chemical Property:

• Appearance/Colour: white solid
• Vapor Pressure: 2.77E-09mmHg at 25°C
• Melting Point: 94.5-95.3 °C
• Refractive Index: 1.535
• Boiling Point: 490.3 °C at 760 mmHg
• Flash Point: 250.3 °C
• PSA: 67.16000
• Density: 1.415 g/cm³
• LogP: 7.16970
• Storage Temp.: 2-8°C
• Solubility.: DMSO: 17 mg/mL
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 440.04180309
• Heavy Atom Count: 30
• Complexity: 583

Purity/Quality:

98%,99%, ^*data from raw suppliers

SEW 2871 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=C(SC(=C2)C3=NC(=NO3)C4=CC(=CC=C4)C(F)(F)F)C(F)(F)F
• Description: Sphingosine-1-phosphate receptor 1 (S1P1) is one of five high affinity G protein-coupled S1P receptors which mediate a variety of effects including lymphocyte recirculation in the blood. Non-selective S1P receptor agonists, such as FTY720, produce clinical immunosuppression useful for preventing transplant rejection and treating autoimmune diseases. However, they also cause bradycardia by activating S1P3, the receptor responsible for regulation of heart rate. SEW2871 is a selective S1P1 receptor agonist in both human and mouse that is not active at the S1P2-5 receptors. SEW2871, therefore, suppresses the immune response by decreasing the number of lymphocytes circulating in blood without causing bradycardia.
• Uses: 5-[4-PHENYL-5-(TRIFLUOROMETHYL)-2-THIENYL]-3-[3-(TRIFLUOROMETHYL)PHENYL]-1,2,4-OXADIAZOLE is used as medicament for treating and/or preventing cardiovascular conditions in patients with Fabry disease. SEW2871 was used to mimic the effects of sphingosine-1 phosphate in HUVECs to study the innate immunity rendered by long pentraxin 3.