Products for Research Use Only
RegisterLogin

Nav1.7-IN-2

CAT: 0804-HY-19366-01Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-19366-01Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Nav1.7-IN-2 is an inhibitor of voltage-gated sodium channels (Nav), in particular Nav 1.7, with IC50 of 80 nM. IC50 value: 80 nM Target: Nav 1.7 Nav1.7-IN-2 is useful for the treatment of diseases treatable by inhibition of these channels, in particular, chronic pain disorder. The more detailed information please refer to WO 2011103196 A1. Nav1.7-IN-2 is a Nav1.7 channel inhibitor extracted from patent WO/2011103196 A1, compound example J, has an IC50 of 80 nM.
CAS Number
1332295-35-8
UNSPSC
12352005
Hazard Statement
H315, H319, H335
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-2.html
Purity
98.28
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
C(NC)(=O)C1=CC=CC(NC2=NC=CC(N3CC(OC4=CC=C(F)C=C4C)C3)=N2)=C1
Molecular Formula
C22H22FN5O2
Molecular Weight
407.44
Precautions
H315, H319, H335
References & Citations
[1]Bregman Howard, et al. Preparation of aryl carboxamide derivatives as sodium channel inhibitors for treatment of pain. From PCT Int. Appl. (2011), WO 2011103196 A1 20110825.
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
Nav1.7

Chemical Information

Nav1.7-IN-2
CAS Number1332295-35-8
PubChem CID53348208
IUPAC Name3-[[4-[3-(4-fluoro-2-methylphenoxy)azetidin-1-yl]pyrimidin-2-yl]amino]-N-methylbenzamide
Molecular FormulaC22H22FN5O2
Molecular Weight407.4
XLogP3.8
Topological Polar Surface Area79.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity576
SMILES
CC1=C(C=CC(=C1)F)OC2CN(C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C(=O)NC
InChI
InChI=1S/C22H22FN5O2/c1-14-10-16(23)6-7-19(14)30-18-12-28(13-18)20-8-9-25-22(27-20)26-17-5-3-4-15(11-17)21(29)24-2/h3-11,18H,12-13H2,1-2H3,(H,24,29)(H,25,26,27)
InChIKey
MFAKJGXMORSMIX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nav1.7-IN-2
CAS: 1332295-35-8
CID: 53348208
Formula: C22H22FN5O2
MW: 407.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight407.4
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass407.17575312
Monoisotopic Mass407.17575312
Topological Polar Surface Area79.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity576
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

Related Products

CatalogName
HY-138816-01Nav1.7-IN-15
HY-162347Nav1.7-IN-13
HY-160588Nav1.8-IN-7
HY-141547-01Nav1.7-IN-8
HY-169421Nav1.7-IN-18
HY-179445Nav1.7-IN-20
HY-101789-01Nav1.7-IN-3
HY-178494-01Nav1.7-IN-19
HY-102998Nav1.7-IN-6
HY-13985-01Nav1.7 inhibitor

Alternative Products

CatalogName
BA7005-10Nav1.7-IN-2
A12185-25Nav1.7-IN-2 25mg
A12185-10Nav1.7-IN-2 10mg
A12185-50Nav1.7-IN-2 50mg
A12185-100Nav1.7-IN-2 100mg
A12185-5Nav1.7-IN-2 5mg
MBS8565255-01NaV1.7
YP-W30635-01Rat Nav1.7 (Nav1.7) ELISA Kit
GTR18315303SCN9a / Nav1.7 Reference Antibody (Duke NAv1.7)
70R-50371Nav1.7 antibody

Popular Products