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N,N-??????-5-??????-3-??????????

N,N-??????-5-??????-3-??????????
N,N-??????-5-??????-3-?????????? ??? ???
?? ??:
945128-26-7
???:
N,N-??????-5-??????-3-??????????
???(??):
N,N-??????-5-??????-3-??????????
???:
N,N-Dicyclohexyl-5-cyclopropyl-3-isoxazolecarboxamide
???(??):
ML249;CYM5541;CYM-5541;CID-17253208;CYM 5541(ML-249);CYM-5541;CYM 5541;ML-249;ML 249;ML249;N,N-Dicyclohexyl-5-cyclopropyl-3-isoxazolecarboxamide;N,N-Dicyclohexyl-5-cyclopropylisoxazole-3-carboxamide;3-Isoxazolecarboxamide, N,N-dicyclohexyl-5-cyclopropyl-;N,N-dicyclohexyl-5-cyclopropyl-1,2-oxazole-3-carboxamide
CBNumber:
CB72750683
???:
C19H28N2O2
??? ??:
316.44
MOL ??:
945128-26-7.mol
MSDS ??:
SDS

N,N-??????-5-??????-3-?????????? ??

?? ?
503.1±38.0 °C(Predicted)
??
1.14±0.1 g/cm3(Predicted)
?? ??
2-8°C
???
DMSO: ???5mg/mL, ??(??)
?? ?? (pKa)
-2.57±0.20(Predicted)
??? ??
??
??
???? ????
???
??? ?? ?????? 1? ?? ??????. DMSO ?? ??? ??? -20°?? ?? 1?? ?? ??? ? ????.
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
??? ?? Xn
?? ???? ?? 22
WGK ?? 3
????(GHS): GHS hazard pictograms
?? ?: Warning
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H302 ??? ??? ?? ?? ?? - ?? ?? 4 ?? GHS hazard pictograms P264, P270, P301+P312, P330, P501
??????:
P280 ????/???/???/?????? ?????.
P305+P351+P338 ?? ??? ? ?? ?? ???? ????. ???? ?????? ?????. ?? ????.
NFPA 704
0
2 0

N,N-??????-5-??????-3-?????????? C??? ??, ??, ??

??

The sphingosine 1-phosphate (S1P) receptor S1P3 has roles in vasodilation, epithelial barrier function, cardioprotection, fibrosis, immunity, and inflammation. CYM 5541 is a selective, allosteric agonist of S1P3 (EC50 = 72-132 nM). It less effectively activates S1P1 (EC50 = 28-38 μM) and is ineffective at S1P2, S1P4, and S1P5 as well as a panel of other receptors, ion channels and transporters.

??

CYM 5541, is a selective allosteric agonist of SAR and S1P3 receptors.

Biochem/physiol Actions

CYM-5541 is an allosteric agonist selective for the Sphingosine 1-phosphate (S1P) S1P3 receptor subtype. CYM-5541 occupies a different chemical space in the ligand binding pocket of S1P3 than S1P does, a lower hydrophobic region around transmembrane helix TM6. CYM-5541 shows great selectivity and stability with an EC50 of between 72 and 132 nM compared to S1P1 EC50 > 10 μM, S1P2 EC50 > 50 μM, S1P4 EC50 > 50 μM, and S1P5 EC50 > 25 μM and no significant activities for a panel of 55 GPCRs, ion channels, and transporters.

N,N-??????-5-??????-3-?????????? ?? ?? ? ???

???

?? ??

N,N-??????-5-??????-3-?????????? ?? ??

???( 75)?? ??
??? ?? ??? ?? ?? ? ??
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N,N-??????-5-??????-3-?????????? ?? ??:

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