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Nav1.1 activator 1

CAT: 0804-HY-126429-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-126429-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Nav1.1 activator 1 (compound 4), a highly potent Nav1.1 activator with BBB penetration, increases decay time constant (tau) of Nav1.1 currents at 0.03 μM along with significant selectivity against Nav1.2, Nav1.5, and Nav1.6[1].
CAS Number
2332897-85-3
UNSPSC
12352005
Target
Sodium Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Applications
Neuroscience-Neurodegeneration
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/nav1-1-activator-1.html
Concentration
10mM
Purity
98.98
Solubility
DMSO : 250 mg/mL (ultrasonic)
Smiles
O=C(C1=C(C2=CC(F)=CC=C2F)C=CN=C1N3C[C@@H](F)CC3)NC4=CC=C(C(C)C)N=C4
Molecular Formula
C24H23F3N4O
Molecular Weight
440.46
References & Citations
[1]Miyazaki T, et al. Discovery of novel 4-phenyl-2- (pyrrolidinyl) nicotinamide derivatives as potent Nav1.1 activators. Bioorg Med Chem Lett. 2019 Mar 15;29 (6) :815-820.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Nav1.1

Chemical Information

Nav1.1 activator 1
CAS Number2332897-85-3
PubChem CID146014435
IUPAC Name4-(2,5-difluorophenyl)-2-[(3S)-3-fluoropyrrolidin-1-yl]-N-(6-propan-2-yl-3-pyridinyl)pyridine-3-carboxamide
Molecular FormulaC24H23F3N4O
Molecular Weight440.5
XLogP4.6
Topological Polar Surface Area58.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity638
SMILES
CC(C)C1=NC=C(C=C1)NC(=O)C2=C(C=CN=C2N3CC[C@@H](C3)F)C4=C(C=CC(=C4)F)F
InChI
InChI=1S/C24H23F3N4O/c1-14(2)21-6-4-17(12-29-21)30-24(32)22-18(19-11-15(25)3-5-20(19)27)7-9-28-23(22)31-10-8-16(26)13-31/h3-7,9,11-12,14,16H,8,10,13H2,1-2H3,(H,30,32)/t16-/m0/s1
InChIKey
HRGJTEFGFUJXIF-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of Nav1.1 activator 1
CAS: 2332897-85-3
CID: 146014435
Formula: C24H23F3N4O
MW: 440.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.5
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass440.18239586
Monoisotopic Mass440.18239586
Topological Polar Surface Area58.1 Ų
Heavy Atom Count32
Formal Charge0
Complexity638
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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