Trelanserin

Base Information

Chemical Name:Trelanserin
CAS No.:189003-92-7
Molecular Formula:C₂₄H₂₄FN₅O₂S
Molecular Weight:465.551
Hs Code.:
UNII:QUD44MBL5S
DSSTox Substance ID:DTXSID2047355
Nikkaji Number:J1.401.891C
Wikidata:Q27287498
NCI Thesaurus Code:C90946
Metabolomics Workbench ID:144362
ChEMBL ID:CHEMBL3183740
Mol file:189003-92-7.mol

Synonyms:7-fluoro-2-oxo-4-(2-(4-(thieno(3,2-c)pyridin-4-yl)piperazin-1-yl)ethyl)-1,2-dihydroquinoline-1-acetamide;SL 65.0472;SL65.0472

Suppliers and Price of Trelanserin

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

American Custom Chemicals Corporation
SL-650472 95.00%
5MG
$ 499.53

Total 1 raw suppliers

Chemical Property of Trelanserin

Chemical Property:

Boiling Point:703.9±60.0 °C(Predicted)
PKA:15.57±0.40(Predicted)
PSA：113.69000
Density:1.365±0.06 g/cm3(Predicted)
LogP:3.75290
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:465.16347436
Heavy Atom Count:33
Complexity:774

Purity/Quality:

>98% ^*data from raw suppliers

SL-650472 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN(CCN1CCC2=CC(=O)N(C3=C2C=CC(=C3)F)CC(=O)N)C4=NC=CC5=C4C=CS5
Recent EU Clinical Trials:Double-blind, double-dummy, randomized, parallel group trial of SL650472 (three dose regimens versus placebo and cilostazol), for 24-week improvement of walking distance in patients with stage II peripheral arterial disease who benefit from optimal prevention strategy including clopidogrel.

Technology Process of Trelanserin

There total 10 articles about Trelanserin 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: 74.0%

: 683-57-8
bromo-acetic acid amide

: 189003-71-2
7-fluoro-4-[2-[4-(thieno[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]quinolin-2(1H)-one

: 189003-92-7
Trelanserin

Guidance literature:: With potassium hydroxide; tetrabutylammomium bromide; In tetrahydrofuran; at 0 - 20 ℃;
DOI:10.1016/S0968-0896(01)00118-3

Reference yield:

: 79-07-2
Chloroacetamide

: 189003-71-2
7-fluoro-4-[2-[4-(thieno[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]quinolin-2(1H)-one

: 189003-92-7
Trelanserin

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide; at 50 ℃; for 12h; Industry scale;

Reference yield:

: 15997-62-3
2,6-dioxo-3,6-dihydro-2H-pyran-4-yl acetate

: 189003-92-7
Trelanserin

Guidance literature:: Multi-step reaction with 7 steps

1: acetic acid / 2 h / 35 °C

2: conc. H₂SO₄ / 1.5 h / 90 °C

3: thionyl chloride / 16 h / Heating

4: sodium borohydride / tetrahydrofuran / 24 h / Heating

5: thionyl chloride; DMF; pyridine / CHCl₃ / 4.5 h / Heating

6: 42 percent / sodium hydrogencarbonate; potassium iodide / acetonitrile; dimethylformamide / 18 h / 70 °C

7: 74 percent / potassium hydroxide; tetrabutylammonium bromide / tetrahydrofuran / 0 - 20 °C

With pyridine; potassium hydroxide; sodium tetrahydroborate; thionyl chloride; sulfuric acid; tetrabutylammomium bromide; sodium hydrogencarbonate; N,N-dimethyl-formamide; potassium iodide; In tetrahydrofuran; chloroform; acetic acid; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1016/S0968-0896(01)00118-3