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Merck
CN

SML0680

CYM-5541

≥98% (HPLC)

Synonym(s):

CYM5541, ML249, N,N-Dicyclohexyl(5-cyclopropylisoxazol-3-yl)-carboxamide, N,N-Dicyclohexyl-5-cyclopropyl-3-isoxazolecarboxamide

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About This Item

Empirical Formula (Hill Notation):
C19H28N2O2
CAS Number:
945128-26-7
Molecular Weight:
316.44
UNSPSC Code:
12352211
NACRES:
NA.77
Assay:
≥98% (HPLC)
Form:
powder
Quality level:
100

Key Documents

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SMILES string

N(C4CCCCC4)(C3CCCCC3)C(=O)c1n[o]c(c1)C2CC2

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

InChI key

NDKGACIWVAOUQH-UHFFFAOYSA-N

assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 5 mg/mL, clear (warmed)

storage temp.

2-8°C

Quality Level

100

Biochem/physiol Actions

CYM-5541 is an allosteric agonist selective for the Sphingosine 1-phosphate (S1P) S1P3 receptor subtype.
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.

Features and Benefits

This compound is featured on the Lysophospholipid Receptors page of the Handbook of Receptor Classification and Signal Transduction. To browse other handbook pages, click here.

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
0000115388
0000085048
0000085049
0000074368
0000074366

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