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SUN49199

CAT: 0013-GTR19210288-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210288-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SUN49199 (NaV1.7 Blocker-13) is a selective NaV1.7 inhibitor with minimal activity on NaV1.2, 1.3, and 1.6 subtypes, demonstrating greater potency at the human isoform. Its characterization, published in the Journal of Pharmacology and Experimental Therapeutics, supports its use as a research tool for investigating pain pathways in vitro and exploring potential analgesic mechanisms.
CAS Number
2251049-19-9
Smiles
O (C1=C (C=C (C (F) (F) F) C=C1) C=2N (N=CC2) C3CNC3) C4=C (Cl) C=C (S (NC5=NC=NS5) (=O) =O) C (F) =C4
Molecular Formula
C21H15ClF4N6O3S2
Molecular Weight
574.96
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenoxy]-5-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CAS Number2251049-19-9
PubChem CID171360787
IUPAC Name4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenoxy]-5-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
Molecular FormulaC21H15ClF4N6O3S2
Molecular Weight575.0
XLogP4
Topological Polar Surface Area148
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity898
SMILES
C1C(CN1)N2C(=CC=N2)C3=C(C=CC(=C3)C(F)(F)F)OC4=CC(=C(C=C4Cl)S(=O)(=O)NC5=NC=NS5)F
InChI
InChI=1S/C21H15ClF4N6O3S2/c22-14-6-19(37(33,34)31-20-28-10-30-36-20)15(23)7-18(14)35-17-2-1-11(21(24,25)26)5-13(17)16-3-4-29-32(16)12-8-27-9-12/h1-7,10,12,27H,8-9H2,(H,28,30,31)
InChIKey
SIEHVRLODLAMBZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[2-[2-(azetidin-3-yl)pyrazol-3-yl]-4-(trifluoromethyl)phenoxy]-5-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CAS: 2251049-19-9
CID: 171360787
Formula: C21H15ClF4N6O3S2
MW: 575.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight575.0
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Exact Mass574.0271711
Monoisotopic Mass574.0271711
Topological Polar Surface Area148 Ų
Heavy Atom Count37
Formal Charge0
Complexity898
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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CatalogName
T69728-01SUN49199

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