| Identification | Back Directory | [Name]
N,N-Dicyclohexyl-5-cyclopropyl-3-isoxazolecarboxamide | [CAS]
945128-26-7 | [Synonyms]
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
3-Isoxazolecarboxamide, N,N-dicyclohexyl-5-cyclopropyl-
N,N-dicyclohexyl-5-cyclopropyl-1,2-oxazole-3-carboxamide
N,N-Dicyclohexyl(5-cyclopropylisoxazol-3-yl)-carboxamide | [Molecular Formula]
C19H28N2O2 | [MDL Number]
MFCD09782785 | [MOL File]
945128-26-7.mol | [Molecular Weight]
316.44 |
| Chemical Properties | Back Directory | [Boiling point ]
503.1±38.0 °C(Predicted) | [density ]
1.14±0.1 g/cm3(Predicted) | [storage temp. ]
2-8°C | [solubility ]
DMSO: soluble5mg/mL, clear (warmed) | [form ]
powder | [pka]
-2.57±0.20(Predicted) | [color ]
white to beige | [Stability:]
Stable for 1 year from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20° for up to 1 month. | [InChI]
1S/C19H28N2O2/c22-19(17-13-18(23-20-17)14-11-12-14)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h13-16H,1-12H2 | [InChIKey]
NDKGACIWVAOUQH-UHFFFAOYSA-N | [SMILES]
N(C4CCCCC4)(C3CCCCC3)C(=O)c1n[o]c(c1)C2CC2 |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
22 | [WGK Germany ]
3 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral |
| Hazard Information | Back Directory | [Description]
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. | [Uses]
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. | [storage]
Store at +4°C | [References]
1) Guerrero?et al.?(2011),?Probe Development Efforts for an Allosteric Agonist of Sphingosine 1-phosphate Receptor 3 (S1P3); Probe Reports from the NIH Molecular Libraries Program
2) Jo?et al.?(2012),?Novel Selective Allosteric and Bitopic Ligands for the S1P3 Receptor; ACS Chem. Biol.?7?1975 |
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| Company Name: |
Sigma-Aldrich
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| Telephone: |
021-61415566 800-8193336 |
| Website: |
https://www.sigmaaldrich.cn |
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