Identification | Back Directory | [Name]
CS 2100 | [CAS]
913827-99-3 | [Synonyms]
CS 2100 1-[[4-Ethyl-5-[5-(4-phenoxyphenyl)-1 4-oxadiazol-3-yl]-2-thienyl]methyl]-3-azetidinecarboxylic acid 1-[[4-Ethyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-thienyl]methyl]-3-azetidinecarboxylic acid 3-Azetidinecarboxylic acid, 1-[[4-ethyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-thienyl]methyl]- CS-2100 1-[[4-Ethyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]-
2-thienyl]methyl]-3-azetidinecarboxylic acid inhibit,LPL Receptor,CS2100,Inhibitor,CS 2100,immunosuppressive efficacy,HvGR,CS-2100,Lysophospholipid Receptor,S1P3-sparing | [Molecular Formula]
C25H23N3O4S | [MOL File]
913827-99-3.mol | [Molecular Weight]
461.53 |
Chemical Properties | Back Directory | [Boiling point ]
648.0±65.0 °C(Predicted) | [density ]
1.336±0.06 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
<2.31mg/ml in DMSO | [form ]
Solid | [pka]
2.63±0.20(Predicted) | [color ]
Off-white to light yellow | [InChI]
InChI=1S/C25H23N3O4S/c1-2-16-12-21(15-28-13-18(14-28)25(29)30)33-22(16)23-26-24(32-27-23)17-8-10-20(11-9-17)31-19-6-4-3-5-7-19/h3-12,18H,2,13-15H2,1H3,(H,29,30) | [InChIKey]
DWVJASHDNJMDNH-UHFFFAOYSA-N | [SMILES]
N1(CC2SC(C3N=C(C4=CC=C(OC5=CC=CC=C5)C=C4)ON=3)=C(CC)C=2)CC(C(O)=O)C1 |
Hazard Information | Back Directory | [Uses]
CS 2100 is a sphingosine-1-phosphate receptor 1 (S1P1) agonist (EC50 = 4.0 nM). Exhibits 5000-fold selectivity for human S1P1 over S1P3. Displays efficacy in a rat adjuvant-induced arthritis model. | [storage]
Store at +4°C |
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