Cenobamate

Base Information

Chemical Name:Cenobamate
CAS No.:913088-80-9
Molecular Formula:C₁₀H₁₀ClN₅O₂
Molecular Weight:267.675
Hs Code.:
European Community (EC) Number:872-513-5
UNII:P85X70RZWS
DSSTox Substance ID:DTXSID001027948
Wikipedia:Cenobamate
Wikidata:Q27286352
NCI Thesaurus Code:C174837
RXCUI:2265690
Metabolomics Workbench ID:149630
ChEMBL ID:CHEMBL3989949

Synonyms:2H-tetrazole-2-ethanol, alpha-(2-chlorophenyl)-, carbamate (ester), (alphaR)-;carbamic acid (R)-(+)-1-(2-chlorophenyl)-2-(2h-tetrazol-2-yl)ethyl ester;Cenobamate;XCOPRI;YKP-3089;YKP3089

Suppliers and Price of Cenobamate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Chemtos
Cenobamate-d4
10 mg
$ 2990.00

Total 16 raw suppliers

Chemical Property of Cenobamate

Chemical Property:

Boiling Point:520.8±60.0 °C(Predicted)
Density:1.56±0.1 g/cm3(Predicted)
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:267.0523023
Heavy Atom Count:18
Complexity:293

Purity/Quality:

99% ^*data from raw suppliers

Cenobamate-d4 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Drug Classes:Anticonvulsants
Canonical SMILES:C1=CC=C(C(=C1)C(CN2N=CN=N2)OC(=O)N)Cl
Isomeric SMILES:C1=CC=C(C(=C1)[C@H](CN2N=CN=N2)OC(=O)N)Cl
Recent ClinicalTrials:Dose-Escalation Study of Cenobamate (YKP3089) in Pediatric Subjects With Partial-Onset Seizures
Recent EU Clinical Trials:Open-Label Safety and Efficacy Study of Cenobamate (YKP3089) in Pediatric Subjects with Partial-onset (Focal) Seizures
Recent NIPH Clinical Trials:Clinical Study to Evaluate the Efficacy and Safety of Cenobamate in Subjects with Partial Onset Seizures
Uses Cenobamate can be used to treat focal-onset seizures in adults.

Technology Process of Cenobamate

There total 6 articles about Cenobamate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 5000-66-8
2-chlorophenacyl bromide

: 913088-80-9
carbamic acid (R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: potassium carbonate / N,N-dimethyl-formamide; acetonitrile / 2 h / 45 °C

2: isopropyl alcohol; n-heptane

3: triethylamine; magnesium chloride / NAD / isopropyl alcohol; acetic acid butyl ester; glycerol / 48 h / 20 °C / pH 8 / Enzymatic reaction

4: tetrahydrofuran / 2 h / -15 - 10 °C

With potassium carbonate; triethylamine; magnesium chloride; NAD; In tetrahydrofuran; n-heptane; acetic acid butyl ester; N,N-dimethyl-formamide; isopropyl alcohol; glycerol; acetonitrile;

Reference yield:

: 1189-71-5
isocyanate de chlorosulfonyle

: (R)-1-(2-chlorophenyl)-2-(1,2,3,4-tetrazol-2-yl)ethan-1-ol

: 913088-80-9
carbamic acid (R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethyl ester

Guidance literature:: In tetrahydrofuran; at -15 - -10 ℃;

Reference yield:

: (R)-1-(2-chlorophenyl)-2-(1,2,3,4-tetrazol-2-yl)ethan-1-ol

: 530-62-1
1,1'-carbonyldiimidazole

: 913088-80-9
carbamic acid (R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethyl ester

Guidance literature:: (R)-1-(2-chlorophenyl)-2-(1,2,3,4-tetrazol-2-yl)ethan-1-ol; 1,1'-carbonyldiimidazole; In dichloromethane; at 20 ℃; for 3h;

With ammonia; water; In dichloromethane; at 20 ℃; for 5h;