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LTGO-33

CAT: 0957-E1929-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0957-E1929-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
LTGO-33 is a potent and selective inhibitor of voltage-gated sodium channel NaV1.8. LTGO-33, with its potency in the nanomolar range, selectively inhibits NaV1.8 over 600 times more than human NaV1.1-NaV1.7 and NaV1.9. Its inhibition is not dependent on the state of the channels and displays consistent potency against both closed and inactivated conformations. LTGO-33 holds promise for research in pain disorders.
CAS Number
2834106-06-6
Target
Sodium Channel
Activity
Transmembrane Transporters
Molecular Formula
C21H17F4N3O3S

Chemical Information

(R)-2-(4-Fluoro-2-methylphenoxy)-N-(3-(S-methylsulfonimidoyl)phenyl)-5-(trifluoromethyl)nicotinamide
CAS Number2834106-06-6
PubChem CID169124157
IUPAC Name2-(4-fluoro-2-methylphenoxy)-N-[3-(methylsulfonimidoyl)phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
Molecular FormulaC21H17F4N3O3S
Molecular Weight467.4
XLogP5.4
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity774
SMILES
CC1=C(C=CC(=C1)F)OC2=C(C=C(C=N2)C(F)(F)F)C(=O)NC3=CC(=CC=C3)[S@](=N)(=O)C
InChI
InChI=1S/C21H17F4N3O3S/c1-12-8-14(22)6-7-18(12)31-20-17(9-13(11-27-20)21(23,24)25)19(29)28-15-4-3-5-16(10-15)32(2,26)30/h3-11,26H,1-2H3,(H,28,29)/t32-/m1/s1
InChIKey
IIJWTXGHWFZLBF-JGCGQSQUSA-N
Chemical Structure
2D Structure
2D structure of (R)-2-(4-Fluoro-2-methylphenoxy)-N-(3-(S-methylsulfonimidoyl)phenyl)-5-(trifluoromethyl)nicotinamide
CAS: 2834106-06-6
CID: 169124157
Formula: C21H17F4N3O3S
MW: 467.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight467.4
XLogP35.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass467.09267523
Monoisotopic Mass467.09267523
Topological Polar Surface Area101 Ų
Heavy Atom Count32
Formal Charge0
Complexity774
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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