ChemicalBook--->CAS DataBase List--->913827-99-3

913827-99-3

913827-99-3 Structure

913827-99-3 Structure
IdentificationBack 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 PropertiesBack 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 InformationBack 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
Spectrum DetailBack Directory
[Spectrum Detail]

CS 2100(913827-99-3)1HNMR
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