Ersentilide

Base Information

Chemical Name:Ersentilide
CAS No.:128264-20-0
Deprecated CAS:125228-82-2
Molecular Formula:C21H26 N4 O5 S
Molecular Weight:446.527
Hs Code.:
DSSTox Substance ID:DTXSID30869708
Nikkaji Number:J291.676B
Wikipedia:Ersentilide
Wikidata:Q15634016
NCI Thesaurus Code:C65532
ChEMBL ID:CHEMBL99585

Synonyms:4-HIPPM;CK 3579;CK 4000;CK 4001;CK-3579;CK-4000;CK-4001;ersentilide;ersentilide hydrochloride, (+-)-isomer;ersentilide hydrochloride, (R)-isomer;ersentilide hydrochloride, (S)-isomer;ersentilide, (R)-isomer;ersentilide, (S)-isomer;ersentilide, malate salt, (S)-isomer;HE 93;HE-93;HE93;N-(4-(2-hydroxy-3-((2-(4-(1H-imidazol-1-yl)phenoxy)ethyl)amino)propoxy)phenyl)methanesulfonamide

Suppliers and Price of Ersentilide

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

Total 0 raw suppliers

Chemical Property of Ersentilide

Chemical Property:

XLogP3:1.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:12
Exact Mass:446.16239112
Heavy Atom Count:31
Complexity:601

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CS(=O)(=O)NC1=CC=C(C=C1)OCC(CNCCOC2=CC=C(C=C2)N3C=CN=C3)O

Technology Process of Ersentilide

There total 3 articles about Ersentilide 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:

: 122958-36-5
2-[4-(imidazol-1-yl)phenoxy]ethylamine

: 128264-20-0
N-(4-{2-Hydroxy-3-[2-(4-imidazol-1-yl-phenoxy)-ethylamino]-propoxy}-phenyl)-methanesulfonamide

Guidance literature:: Multi-step reaction with 3 steps

1: (CH₃)3Al / CH₂Cl₂

2: H₂ / Pd/C / ethanol

3: CH₃SO₃H / H₂O / pH 5-6

With methanesulfonic acid; hydrogen; trimethylaluminum; palladium on activated charcoal; In ethanol; dichloromethane; water;
DOI:10.1021/jm00166a002

Reference yield:

: 125228-76-4
1-[2-(4-Imidazol-1-yl-phenoxy)-ethylamino]-3-(4-nitro-phenoxy)-propan-2-ol

: 128264-20-0
N-(4-{2-Hydroxy-3-[2-(4-imidazol-1-yl-phenoxy)-ethylamino]-propoxy}-phenyl)-methanesulfonamide

Guidance literature:: Multi-step reaction with 2 steps

1: H₂ / Pd/C / ethanol

2: CH₃SO₃H / H₂O / pH 5-6

With methanesulfonic acid; hydrogen; palladium on activated charcoal; In ethanol; water;
DOI:10.1021/jm00166a002