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Nav1.7-IN-13

CAT: 0804-HY-162347Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-162347Size:1 Each
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Description
Nav1.7-IN-13 (compound 3g) is a sodium channel inhibitor that significantly inhibits Veratridine -induced neuronal activity. Nav1.7-IN-13 inhibits total Na+ current in DRG neurons in a concentration-dependent manner; slows down the activation of Navs. Nav1.7-IN-13 significantly alleviated mechanical pain behavior in a rat model of nerve injury (SNI) and had analgesic activity[1].
CAS Number
2776235-57-3
UNSPSC
12352005
Target
Sodium Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/nav1-7-in-13.html
Solubility
10 mM in DMSO
Smiles
C/C(C)=C/CN1C2=CC(Br)=CC=C2[C@@]([C@]3(C(OC)=O)OC(C=CC=C4)=C4C3)(O)C1=O
Molecular Formula
C23H22BrNO5
Molecular Weight
472.33
References & Citations
[1]Wang Y, et al. Nav1.7 Modulator Bearing a 3-Hydroxyindole Backbone Holds the Potential to Reverse Neuropathic Pain. ACS Chem Neurosci. 2024 Mar 6.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Nav1.7

Chemical Information

methyl (2R)-2-[(3S)-6-bromo-3-hydroxy-1-(3-methylbut-2-enyl)-2-oxoindol-3-yl]-3H-1-benzofuran-2-carboxylate
CAS Number2776235-57-3
PubChem CID178203300
IUPAC Namemethyl (2R)-2-[(3S)-6-bromo-3-hydroxy-1-(3-methylbut-2-enyl)-2-oxoindol-3-yl]-3H-1-benzofuran-2-carboxylate
Molecular FormulaC23H22BrNO5
Molecular Weight472.3
XLogP4.4
Topological Polar Surface Area76.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity737
SMILES
CC(=CCN1C2=C(C=CC(=C2)Br)[C@@](C1=O)([C@]3(CC4=CC=CC=C4O3)C(=O)OC)O)C
InChI
InChI=1S/C23H22BrNO5/c1-14(2)10-11-25-18-12-16(24)8-9-17(18)23(28,20(25)26)22(21(27)29-3)13-15-6-4-5-7-19(15)30-22/h4-10,12,28H,11,13H2,1-3H3/t22-,23+/m0/s1
InChIKey
BJERJTMQOUROEZ-XZOQPEGZSA-N
Chemical Structure
2D Structure
2D structure of methyl (2R)-2-[(3S)-6-bromo-3-hydroxy-1-(3-methylbut-2-enyl)-2-oxoindol-3-yl]-3H-1-benzofuran-2-carboxylate
CAS: 2776235-57-3
CID: 178203300
Formula: C23H22BrNO5
MW: 472.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.3
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass471.06814
Monoisotopic Mass471.06814
Topological Polar Surface Area76.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity737
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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