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GX 201 - ≥98%(HPLC), high purity , CAS No.1788071-27-1
Potent and selective Nav1.7 blocker; analgesic
Basic Description
Synonyms
4-[[1-[[2-Chloro-5-(trifluoromethyl)phenyl]methyl]-4-piperidinyl]methoxy]-5-cyclopropyl-2-fluoro-N-(methylsulfonyl)benzamide
Specifications & Purity
≥98%(HPLC)
Biochemical and Physiological Mechanisms
Potent and selective Nav1.7 blocker (IC50= 3.2 nM). Exhibits 10x selectivity for Nav1.7 over Nav1.1, Nav1.2, and Nav1.6 channels. Displays prolonged residency time on the Nav1.7 channel. Chronic dosing increases compound potency ~10-fold and provides effi
Storage Temp
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Piperidines
Subclass
Benzylpiperidines
Intermediate Tree Nodes
Not available
Direct Parent
N-benzylpiperidines
Alternative Parents
Trifluoromethylbenzenes 2-halobenzoic acids and derivatives Phenylmethylamines Phenoxy compounds Phenol ethers Benzylamines Benzoyl derivatives Fluorobenzenes Chlorobenzenes Aralkylamines Alkyl aryl ethers Aryl fluorides Aryl chlorides Vinylogous halides Organosulfonic acids and derivatives Aminosulfonyl compounds Trialkylamines Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-benzylpiperidine - Trifluoromethylbenzene - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoic acid or derivatives - Phenoxy compound - Phenylmethylamine - Phenol ether - Benzylamine - Benzoyl - Aralkylamine - Halobenzene - Fluorobenzene - Chlorobenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Aryl chloride - Vinylogous halide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
4-[[1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide
INCHI
InChI=1S/C25H27ClF4N2O4S/c1-37(34,35)31-24(33)20-11-19(16-2-3-16)23(12-22(20)27)36-14-15-6-8-32(9-7-15)13-17-10-18(25(28,29)30)4-5-21(17)26/h4-5,10-12,15-16H,2-3,6-9,13-14H2,1H3,(H,31,33)
InChIKey
KYBPOTYVFWNSGS-UHFFFAOYSA-N
Smiles
CS(=O)(=O)NC(=O)C1=C(C=C(C(=C1)C2CC2)OCC3CCN(CC3)CC4=C(C=CC(=C4)C(F)(F)F)Cl)F
Isomeric SMILES
CS(=O)(=O)NC(=O)C1=C(C=C(C(=C1)C2CC2)OCC3CCN(CC3)CC4=C(C=CC(=C4)C(F)(F)F)Cl)F
Molecular Weight
563
Reaxy-Rn
28334460
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=28334460&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Solvent:DMSO, Max Conc. mg/mL: 56.3, Max Conc. mM: 100
Molecular Weight
563.000 g/mol
XLogP3
5.500
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
9
Rotatable Bond Count
8
Exact Mass
562.132 Da
Monoisotopic Mass
562.132 Da
Topological Polar Surface Area
84.100 Ų
Heavy Atom Count
37
Formal Charge
0
Complexity
890.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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