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CYM-5478

CAT: 0013-GTR19197818-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197818-01Size:1 mg
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Description
CYM-5478 is a potent and selective S1P2 receptor agonist. Under serum-starvation conditions, it enhances C6 glioma cell viability in a dose-dependent manner from 100 nM. This compound is a valuable research tool for studying S1P2 signaling in cellular stress models, including in vitro neurobiology and oncology research.
CAS Number
870762-83-7
Field of Research
Pharmacology & Drug Discovery
Purity
99.92% (May vary between batches)
Smiles
O=C1C=CC (=CN1CC (=O) C=2C=C (N (C2C) CC=3C=CC=CC3) C) C (F) (F) F
Molecular Formula
C21H19F3N2O2
Molecular Weight
388.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(2-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl)-5-(trifluoromethyl)-1,2-dihydropyridin-2-one

CYM-5478 is a potent and highly selective S1P2 agonist with an EC50 of 119 nM in a TGFa-shedding assay. CYM-5478 protects neural-derived cell lines against Cisplatin toxicity.

CAS Number870762-83-7
PubChem CID7802604
IUPAC Name1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
Molecular FormulaC21H19F3N2O2
Molecular Weight388.4
XLogP3.4
Topological Polar Surface Area42.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity665
SMILES
CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C=C(C=CC3=O)C(F)(F)F
InChI
InChI=1S/C21H19F3N2O2/c1-14-10-18(15(2)26(14)11-16-6-4-3-5-7-16)19(27)13-25-12-17(21(22,23)24)8-9-20(25)28/h3-10,12H,11,13H2,1-2H3
InChIKey
RGSGTUIDJXHTTO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(2-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl)-5-(trifluoromethyl)-1,2-dihydropyridin-2-one
CAS: 870762-83-7
CID: 7802604
Formula: C21H19F3N2O2
MW: 388.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.4
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass388.13986234
Monoisotopic Mass388.13986234
Topological Polar Surface Area42.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity665
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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