K201 free base

Base Information

• Chemical Name: K201 free base
• CAS No.: 145903-06-6
• Molecular Formula: C25H32N2O2S
• Molecular Weight: 424.607
• European Community (EC) Number: 808-576-2
• UNII: EBY0ENK2GQ
• DSSTox Substance ID: DTXSID60163201
• Nikkaji Number: J621.539D
• Wikipedia: JTV-519
• Wikidata: Q27093913
• Metabolomics Workbench ID: 147477
• ChEMBL ID: CHEMBL1233797
• Mol file: 145903-06-6.mol

Synonyms:4-(3-(1-(4-benzyl) piperidinyl) propionyl)-7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine;JTV 519;JTV-519;JTV519;K-201;K201 compound

Chemical Property of K201 free base

Chemical Property:

• Boiling Point: 615.133 °C at 760 mmHg
• Flash Point: 325.821 °C
• Density: 1.153 g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 424.21844944
• Heavy Atom Count: 30
• Complexity: 531

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)SCCN(C2)C(=O)CCN3CCC(CC3)CC4=CC=CC=C4
• Recent ClinicalTrials: Phase 2 Study of Oral K201 for Prevention of AF Recurrence
• Recent EU Clinical Trials: TUNDRA-AF: A mulTi-center, randomized, doUble-bliNded, placebo-controlled Dose-escalating study of the effects of K201 on the RestorAtion of sinus rhythm in subjects with symptomatic Atrial Fibrillation of recent onset

Technology Process of K201 free base

There total 1 articles about K201 free base 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:

4-benzylpyperidine (31252-42-3) + 4-(3-bromopropionyl)-7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine (865432-93-5) → K201 (145903-06-6)

Guidance literature:

Reference yield:

K201 (145903-06-6) → C24H30N2O2S (793725-11-8)

Guidance literature:

With boron tribromide;

upstream raw materials:

4-benzylpyperidine

4-(3-bromopropionyl)-7-methoxy-2,3,4,5-tetrahydro-1,4-benzothiazepine

Downstream raw materials:

C₂₄H₃₀N₂O₂S

Refernces