N-Desmethyldofetilide

Base Information

Chemical Name:N-Desmethyldofetilide
CAS No.:176447-94-2
Molecular Formula:C18H25 N3 O5 S2
Molecular Weight:427.546
Hs Code.:2935909550
European Community (EC) Number:811-856-7
UNII:GC84E3XA91
Nikkaji Number:J493.427J
ChEMBL ID:CHEMBL992
Mol file:176447-94-2.mol

Synonyms:176447-94-2;N-DESMETHYLDOFETILIDE;N-Desmethyl dofetilide;N-(4-(2-((4-(Methylsulfonamido)phenethyl)amino)ethoxy)phenyl)methanesulfonamide;Methanesulfonamide, N-[4-[2-[[2-[4-[(methylsulfonyl)amino]phenoxy]ethyl]amino]ethyl]phenyl]-;N-[4-[2-[2-[4-(methanesulfonamido)phenoxy]ethylamino]ethyl]phenyl]methanesulfonamide;GC84E3XA91;UK-71385;Methanesulfonamide, N-(4-(2-((2-(4-((methylsulfonyl)amino)phenoxy)ethyl)amino)ethyl)phenyl)-;N-(4-(2-(2-(4-(Methanesulfonamido)phenoxy)ethyl)amino)phenyl)methanesulfonamide;N-[4-(2-{[2-(4-methanesulfonamidophenoxy)ethyl]amino}ethyl)phenyl]methanesulfonamide;N-DesMethyldofetilifide;CHEMBL992;N-(4-(2-(4-(methylsulfonamido)phenethylamino)ethoxy)phenyl)methanesulfonamide;UNII-GC84E3XA91;[Cy3B]-N-Demethyldofetilide;SCHEMBL7853191;EX-A598;C18H25N3O5S2;BCP15549;BHA44794;MFCD00871914;AKOS030621546;AS-74449;F17402;A857025;N-Desmethyldofetilide;UK 71385;UK71385

Suppliers and Price of N-Desmethyldofetilide

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

Usbiological
N-Desmethyldofetilide
5mg
$ 460.00

TRC
N-Desmethyldofetilide
25mg
$ 630.00

Ambeed
N-(4-(2-((4-(Methylsulfonamido)phenethyl)amino)ethoxy)phenyl)methanesulfonamide 95%
1g
$ 598.00

Ambeed
N-(4-(2-((4-(Methylsulfonamido)phenethyl)amino)ethoxy)phenyl)methanesulfonamide 95%
250mg
$ 200.00

Ambeed
N-(4-(2-((4-(Methylsulfonamido)phenethyl)amino)ethoxy)phenyl)methanesulfonamide 95%
100mg
$ 120.00

Ambeed
N-(4-(2-((4-(Methylsulfonamido)phenethyl)amino)ethoxy)phenyl)methanesulfonamide 95%
50mg
$ 86.00

Total 33 raw suppliers

Chemical Property of N-Desmethyldofetilide

Chemical Property:

Boiling Point:623.5±65.0 °C(Predicted)
PKA:8.59±0.10(Predicted)
PSA：130.36000
Density:1.363±0.06 g/cm3(Predicted)
LogP:4.33920
Storage Temp.:Keep in dark place,Inert atmosphere,Room temperature
XLogP3:1.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:11
Exact Mass:427.12356325
Heavy Atom Count:28
Complexity:642

Purity/Quality:

97% ^*data from raw suppliers

N-Desmethyldofetilide ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CS(=O)(=O)NC1=CC=C(C=C1)CCNCCOC2=CC=C(C=C2)NS(=O)(=O)C
Uses N-Desmethyldofetilide is a derivative of Dofetilide (D525700), a potassium channel blocker. Dofetilide Related Compound A (25 mg) (N-[4-(2-(2-[4-(methanesulfonamido)phenoxy]ethyl)amino)phenyl]methanesulfonamide) acts as a potential antiarrythymic agent.

Technology Process of N-Desmethyldofetilide

There total 14 articles about N-Desmethyldofetilide 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: 41.8%

: 226992-16-1
N-[4-(2-{benzyl-[2-(4-methanesulfonylamino-phenoxy)-ethyl]-amino}-ethyl)-phenyl]-methanesulfonamide

: 176447-94-2
[Cy₃B]-N-Demethyldofetilide

Guidance literature:: With hydrogen; acetic acid; palladium on activated charcoal; at 30 ℃; for 8h; atmospheric pressure;
DOI:10.1021/jm010574u

Reference yield:

: 100-02-7,78813-13-5,89830-32-0
4-nitro-phenol

: 176447-94-2
[Cy₃B]-N-Demethyldofetilide

Guidance literature:: Multi-step reaction with 6 steps

1.1: NaOH; TBA / ethanol / 0.25 h / Heating

1.2: 46.8 percent / ethanol / 24 h / Heating

2.1: 81.5 percent / K₂CO₃ / acetonitrile / 20 °C

3.1: 61 percent / K₂CO₃ / acetonitrile / 3.5 h / Heating

4.1: 87 percent / aq. HCl; iron; ammonium chloride / acetone / 45 °C

5.1: 78.4 percent / Et₃N / CH₂Cl₂

6.1: 41.8 percent / H₂; acetic acid / Pd/C / 8 h / 30 °C / atmospheric pressure

With hydrogenchloride; sodium hydroxide; ammonium chloride; hydrogen; iron; potassium carbonate; acetic acid; tert-butylamine; triethylamine; palladium on activated charcoal; In ethanol; dichloromethane; acetone; acetonitrile;
DOI:10.1021/jm010574u

Reference yield:

: 877-95-2
methyl-N-(benzyl-methyl)-formamide

: 176447-94-2
[Cy₃B]-N-Demethyldofetilide

Guidance literature:: Multi-step reaction with 7 steps

1: 76 g / conc. H₂SO₄; conc. HNO₃ / 2 h

2: 99 percent / 47percent HBr / 6 h / Heating

3: 81.5 percent / K₂CO₃ / acetonitrile / 20 °C

4: 61 percent / K₂CO₃ / acetonitrile / 3.5 h / Heating

5: 87 percent / aq. HCl; iron; ammonium chloride / acetone / 45 °C

6: 78.4 percent / Et₃N / CH₂Cl₂

7: 41.8 percent / H₂; acetic acid / Pd/C / 8 h / 30 °C / atmospheric pressure

With hydrogenchloride; sulfuric acid; ammonium chloride; hydrogen; nitric acid; iron; potassium carbonate; acetic acid; triethylamine; palladium on activated charcoal; In dichloromethane; acetone; acetonitrile;
DOI:10.1021/jm010574u