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2649467-58-1

2649467-58-1 Structure

2649467-58-1 Structure
IdentificationBack Directory
[Name]

2-Pyridinecarboxamide, 4-[[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)tetrahydro-4,5-dimethyl-5-(trifluoromethyl)-2-furanyl]carbonyl]amino]-
[CAS]

2649467-58-1
[Synonyms]

VX-548
Suzetrigine
2-Pyridinecarboxamide, 4-[[[(2R,3S,4S,5R)-3-(3,4-difluoro-2-methoxyphenyl)tetrahydro-4,5-dimethyl-5-(trifluoromethyl)-2-furanyl]carbonyl]amino]-
[Molecular Formula]

C21H20F5N3O4
[MOL File]

2649467-58-1.mol
[Molecular Weight]

473.4
Chemical PropertiesBack Directory
[Boiling point ]

591.8±50.0 °C(Predicted)
[density ]

1.399±0.06 g/cm3(Predicted)
[solubility ]

Acetonitrile: Slightly Soluble: 0.1-1 mg/ml
DMSO: Sparingly Soluble: 1-10 mg/ml
[form ]

Solid
[pka]

11.74±0.70(Predicted)
[color ]

White to light yellow
[InChIKey]

XSQUJFKRXZMOKA-KRZZIQMTNA-N
[SMILES]

C([C@@H]1O[C@@](C)(C(F)(F)F)[C@@H](C)[C@H]1C1C=CC(F)=C(F)C=1OC)(=O)NC1=CC=NC(C(=O)N)=C1 |&1:1,3,9,11,r|
Hazard InformationBack Directory
[Description]

Suzetrigine is an inhibitor of voltage-gated sodium channel 1.8 (Nav1.8; IC50 = 0.7 nM for the human channel).1 It is selective for Nav1.8 over a panel of eight additional voltage-gated sodium channels (IC50s = >10,000 nM for all).WARNING This product is not for human or veterinary use.
[References]

[1] JIM JONES. Selective Inhibition of NaV1.8 with VX-548 for Acute Pain.[J]. New England Journal of Medicine, 2023, 389 5: 393-405. DOI: 10.1056/nejmoa2209870
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