Vernakalant

Base Information Edit

Chemical Name:Vernakalant
CAS No.:794466-70-9
Molecular Formula:C20H31NO4
Molecular Weight:349.47
Hs Code.:
European Community (EC) Number:616-691-2
UNII:9G468C8B13
DSSTox Substance ID:DTXSID60229659
Nikkaji Number:J2.804.733I
Wikipedia:Vernakalant
Wikidata:Q665725
NCI Thesaurus Code:C152864
Pharos Ligand ID:KYCBV4JF2BFP
Metabolomics Workbench ID:149686
ChEMBL ID:CHEMBL2111112
Mol file:794466-70-9.mol

Synonyms:RSD 1235;RSD-1235;RSD1235;vernakalant

Suppliers and Price of Vernakalant

Supply Marketing:Edit

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

Crysdot
Vernakalant 98+%
10mg
$ 375.00

Crysdot
Vernakalant 98+%
50mg
$ 1124.00

American Custom Chemicals Corporation
VERNAKALANT 95.00%
10MG
$ 649.95

American Custom Chemicals Corporation
VERNAKALANT 95.00%
5MG
$ 495.37

Total 29 raw suppliers

Chemical Property of Vernakalant Edit

Chemical Property:

Boiling Point:479.0±45.0 °C(Predicted)
PKA:14.79±0.20(Predicted)
PSA：51.16000
Density:1.14±0.1 g/cm3(Predicted)
LogP:2.57860
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:349.22530847
Heavy Atom Count:25
Complexity:394

Purity/Quality:

98%,99%, ^*data from raw suppliers

Vernakalant 98+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=C(C=C(C=C1)CCOC2CCCCC2N3CCC(C3)O)OC
Isomeric SMILES:COC1=C(C=C(C=C1)CCO[C@@H]2CCCC[C@H]2N3CC[C@H](C3)O)OC
Recent ClinicalTrials:Predictive Factors to Effectively Terminate Paroxysmal Atrial Fibrillation by Blocking Atrial Selective Ionic Currents
Recent EU Clinical Trials:Randomized clinical trial to study effective pharmacological cardioversion of paroxysmal atrial fibrillation by blocking ionic currents atrioselectivas by treatment with vernakalant vs Flecainide
Description Vernakalant is a potassium channel blocker that was approved in Europe in 2010 for treatment of atrial fibrillation (AF), a condition of cardiac arrhythmia in which the atria of the heart beat irregularly due to changes in cardiac ion channel function and distribution. Vernakalant has activity for cardiac Na+ and K+ channels and also for the atrial-selective Kv1.5 channel. Vernakalant (RSD1235) was characterized in animal models to assess efficacy, atrial selectivity, and reduction in side effects.

Technology Process of Vernakalant

There total 18 articles about Vernakalant 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: 80.0%

: (3R)-1-[(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-2,5-dioxopyrrolidin-3-yl hydrogen carbonate

: 794466-70-9
(3R)-1-{(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl}pyrrolidin-3-ol

Guidance literature:: In tetrahydrofuran; at 0 - 20 ℃; for 26h;

Reference yield: 80.0%

: 906802-36-6
(3R)-1-(2-(3,4-dimethoxyphenethoxy)cyclohexyl)-2,5-dioxopyrrolidin-3-yl acetate

: 794466-70-9
(3R)-1-{(1R,2R)-2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl}pyrrolidin-3-ol

Guidance literature:: (3R)-1-(2-(3,4-dimethoxyphenethoxy)cyclohexyl)-2,5-dioxopyrrolidin-3-yl acetate; With lithium aluminium tetrahydride; In toluene; at 20 ℃; for 1h; Heating / reflux;

With sodium hydroxide; water; In toluene; Product distribution / selectivity;