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NaV1.7 inhibitor-1

CAT: 0931-T12181-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T12181-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1494585-79-3
Target
Sodium Channel
Related Pathways
Membrane transporter/Ion channel
Purity
0.9989
Bioactivity
NaV1.7 inhibitor-1, an efficacious inhibitor of voltage-gated sodium channel (NaV) 1.7 (IC50 of 0.6 nM for hNaV1.7) .
Smiles
CC1(COc2cc(F)c(cc2C2CC2)C(=O)NS(=O)(=O)C2CC2)CCC2(CC2)CC1
Molecular Formula
C23H30FNO4S
Molecular Weight
435.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

NaV1.7 inhibitor-1
CAS Number1494585-79-3
PubChem CID90026208
IUPAC Name5-cyclopropyl-N-cyclopropylsulfonyl-2-fluoro-4-[(6-methylspiro[2.5]octan-6-yl)methoxy]benzamide
Molecular FormulaC23H30FNO4S
Molecular Weight435.6
XLogP5.5
Topological Polar Surface Area80.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity772
SMILES
CC1(CCC2(CC1)CC2)COC3=CC(=C(C=C3C4CC4)C(=O)NS(=O)(=O)C5CC5)F
InChI
InChI=1S/C23H30FNO4S/c1-22(6-8-23(9-7-22)10-11-23)14-29-20-13-19(24)18(12-17(20)15-2-3-15)21(26)25-30(27,28)16-4-5-16/h12-13,15-16H,2-11,14H2,1H3,(H,25,26)
InChIKey
GFDXIUXAFNREKM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of NaV1.7 inhibitor-1
CAS: 1494585-79-3
CID: 90026208
Formula: C23H30FNO4S
MW: 435.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight435.6
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass435.18795777
Monoisotopic Mass435.18795777
Topological Polar Surface Area80.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity772
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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Alternative Products

CatalogName
HY-119934-01NaV1.7 inhibitor-1
GTR19205321-01Nav1.7 inhibitor
A18933-25NaV1.7 inhibitor-1 25mg
A18933-50NaV1.7 inhibitor-1 50mg
A18933-1NaV1.7 inhibitor-1 1mg
A18933-10NaV1.7 inhibitor-1 10mg
A18933-5NaV1.7 inhibitor-1 5mg
A18933-100NaV1.7 inhibitor-1 100mg
A21141-100Nav1.7 inhibitor 100mg
A21141-50Nav1.7 inhibitor 50mg

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