Molecular Formula | C23H27N3O4 |
Molar Mass | 409.48 |
Density | 1.27±0.1 g/cm3(Predicted) |
Boling Point | 617.5±65.0 °C(Predicted) |
Solubility | DMSO: >5mg/mL |
pKa | 14.73±0.10(Predicted) |
Storage Condition | -20°C |
In vitro study | CYM-5442 is a chemical optimization agent of CYM-5181. CYM-5442 interacts with S1P 1 via a binding pocket structure, which is the arginine residue at position 120 and the glutamic acid residue at position 121 of S1P 1, this binding pocket is necessary for high affinity binding of S1P and receptor activation. |
In vivo study | CYM-5442 is a complete agonist that can induce and maintain S1P1 dependent lymphopenia, and can reduce the B lymphocytes and T lymphocytes of the control group by 65% and 85% respectively. The induction of lymphopenia by CYM-5442 is related to the dose and time and requires a serum concentration in the range of 50 nM. Furthermore the CYM-5442 induced lymphopenia can be reversed by W146 or after the agonist is metabolically cleared. Pharmacokinetic studies in mice also showed a significant distribution of CYM-5442 in central nervous tissue. |
WGK Germany | 3 |
1mg | 5mg | 10mg | |
---|---|---|---|
1 mM | 2.442 ml | 12.211 ml | 24.421 ml |
5 mM | 0.488 ml | 2.442 ml | 4.884 ml |
10 mM | 0.244 ml | 1.221 ml | 2.442 ml |
5 mM | 0.049 ml | 0.244 ml | 0.488 ml |