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TC-N 1752 - ≥99%(HPLC), high purity , CAS No.1211866-85-1

COA COA
    Grade & Purity:
  • ≥99%(HPLC)
In stock
Item Number
T287165
Grouped product items
SKU Size
Availability
 Price Qty
T287165-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$119.90
T287165-10mg
10mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$189.90
T287165-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$399.90
T287165-50mg
50mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$639.90
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Bulk Order  SDS  DATASHEET  Specification Sheet

NaVchannel blocker

View related series
Ion channel (2197) Membrane Transporter/Ion Channel (1822) Nav channel blocker (1) Sodium Channel (211)

Basic Description

Synonyms N-[2-Methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]-1-piperidinyl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
Specifications & Purity ≥99%(HPLC)
Biochemical and Physiological Mechanisms Human NaVchannel inhibitor (IC50values are 0.17, 0.3, 0.4, 1.1 and 1.6μM at hNaV1.7, hNaV1.3, hNaV1.4, hNaV1.5 and hNav1.9 respectively). Also inhibits tetrodotoxin-sensitive sodium channels. Displays analgesic efficacy in the formalin pain model.
Storage Temp Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Benzenoids
Class Benzene and substituted derivatives
Subclass Anilides
Intermediate Tree Nodes Not available
Direct Parent Acetanilides
Alternative Parents N-acetylarylamines  Diaminotoluenes  Benzylethers  Phenoxy compounds  Phenol ethers  1,3,5-triazine-2,4-diamines  Dialkylarylamines  Aniline and substituted anilines  Piperidines  1,3,5-triazines  Acetamides  Heteroaromatic compounds  Trihalomethanes  Secondary carboxylic acid amides  Dialkyl ethers  Azacyclic compounds  Organofluorides  Alkyl fluorides  Hydrocarbon derivatives  Organic oxides  Carbonyl compounds  
Molecular Framework Aromatic heteromonocyclic compounds
Substituents Acetanilide - N-acetylarylamine - Benzylether - Diaminotoluene - Phenoxy compound - 2,4-diamine-s-triazine - Phenol ether - Aniline or substituted anilines - N-arylamide - Dialkylarylamine - Amino-1,3,5-triazine - Aminotriazine - Toluene - Piperidine - Triazine - 1,3,5-triazine - Heteroaromatic compound - Acetamide - Secondary carboxylic acid amide - Trihalomethane - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Ether - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Halomethane - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteromonocyclic compound
Description This compound belongs to the class of organic compounds known as acetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group.
External Descriptors Not available

Associated Targets(Human)

SCN5A Tclin Sodium channel protein type 5 subunit alpha (2 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
SCN3A Tclin Sodium channel protein type 3 subunit alpha (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
SCN9A Tclin Sodium channel protein type 9 subunit alpha (6 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
SCN4A Tclin Sodium channel protein type 4 subunit alpha (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
KCNH2 Tclin HERG (29587 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TBXA2R Tclin Thromboxane A2 receptor (5717 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ADORA3 Tchem Adenosine A3 receptor (15931 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
KCNA5 Tclin Voltage-gated potassium channel subunit Kv1.5 (1353 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
P2RX7 Tchem P2X purinoceptor 7 (5534 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SCN5A Tclin Sodium channel protein type V alpha subunit (3462 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TRPV4 Tchem Transient receptor potential cation channel subfamily V member 4 (774 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TRPV3 Tchem Transient receptor potential cation channel subfamily V member 3 (542 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Liver microsomes (16955 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Scn3a Sodium channel protein type III alpha subunit (24 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Scn9a Sodium channel protein type IX alpha subunit (69 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Scn10a Sodium channel protein type X alpha subunit (425 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Scn4a Sodium channel protein type IV alpha subunit (55 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Trpm8 Transient receptor potential cation channel subfamily M member 8 (889 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Plasma (328 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

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 N-[2-methyl-3-[[4-[4-[[4-(trifluoromethoxy)phenyl]methoxy]piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
INCHI InChI=1S/C25H27F3N6O3/c1-16-21(31-17(2)35)4-3-5-22(16)32-23-29-15-30-24(33-23)34-12-10-19(11-13-34)36-14-18-6-8-20(9-7-18)37-25(26,27)28/h3-9,15,19H,10-14H2,1-2H3,(H,31,35)(H,29,30,32,33)
InChIKey QLKAFHZJICDACE-UHFFFAOYSA-N
Smiles CC1=C(C=CC=C1NC(=O)C)NC2=NC(=NC=N2)N3CCC(CC3)OCC4=CC=C(C=C4)OC(F)(F)F
Isomeric SMILES CC1=C(C=CC=C1NC(=O)C)NC2=NC(=NC=N2)N3CCC(CC3)OCC4=CC=C(C=C4)OC(F)(F)F
PubChem CID 53361524
Molecular Weight 516.52

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Solubility Solvent:DMSO, Max Conc. mg/mL: 51.65, Max Conc. mM: 100; Solvent:1eq. HCl, Max Conc. mg/mL: 5.17, Max Conc. mM: 10
Molecular Weight 516.500 g/mol
XLogP3 4.900
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 8
Exact Mass 516.21 Da
Monoisotopic Mass 516.21 Da
Topological Polar Surface Area 102.000 Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 716.000
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

Solution Calculators

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