Atreleuton

Base Information

Chemical Name:Atreleuton
CAS No.:154355-76-7
Deprecated CAS:1095269-21-8
Molecular Formula:C16H15 F N2 O2 S
Molecular Weight:318.372
Hs Code.:
European Community (EC) Number:604-947-6
UNII:U301T88E1M
DSSTox Substance ID:DTXSID10165598
Nikkaji Number:J710.520G
Wikidata:Q27290616
NCI Thesaurus Code:C64176
Pharos Ligand ID:FFAGSWN2RMXP
Metabolomics Workbench ID:153687
ChEMBL ID:CHEMBL59356
Mol file:154355-76-7.mol

Synonyms:ABT 761;ABT-761;atreleuton;VIA 2291;VIA-2291;VIA2291

Suppliers and Price of Atreleuton

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

Sigma-Aldrich
Atreleuton ≥98% (HPLC)
25mg
$ 385.00

Sigma-Aldrich
Atreleuton ≥98% (HPLC)
5mg
$ 111.00

Biosynth Carbosynth
ABT 761
50 mg
$ 437.50

Biosynth Carbosynth
ABT 761
10 mg
$ 125.00

Biosynth Carbosynth
ABT 761
25 mg
$ 675.00

American Custom Chemicals Corporation
ABT-761 95.00%
5MG
$ 499.66

Total 4 raw suppliers

Chemical Property of Atreleuton

Chemical Property:

Vapor Pressure:4.34E-11mmHg at 25°C
Boiling Point:506.7°Cat760mmHg
Flash Point:260.2°C
PSA：95.79000
Density:1.37g/cm³
LogP:3.50170
Storage Temp.:2-8°C
Solubility.:DMSO: soluble10mg/mL, clear
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:318.08382706
Heavy Atom Count:22
Complexity:454

Purity/Quality:

98% ^*data from raw suppliers

Atreleuton ≥98% (HPLC) ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 22

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C#CC1=CC=C(S1)CC2=CC=C(C=C2)F)N(C(=O)N)O
Isomeric SMILES:C[C@H](C#CC1=CC=C(S1)CC2=CC=C(C=C2)F)N(C(=O)N)O
Recent ClinicalTrials:Phase 2 Study in Vascular Inflammation on Patients After an Acute Coronary Syndrome Event
Recent EU Clinical Trials:A Phase 2 Randomised, Double-blind, Placebo-controlled Study of the Effects of VIA-2291, a 5-lipoxygenase Inhibitor, on Atherosclerotic Plaque and Biomarkers of Vascular Inflammation in Patients with Carotid Stenosis Undergoing Elective Carotid Endarterectomy.
Therapeutic Function Antiallergic, Anti-asthmatic

Technology Process of Atreleuton

There total 5 articles about Atreleuton 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: 18.0%

: 154355-88-1
5-((4-fluorophenyl)methyl)-2-iodothiophene

: 154355-92-7
(R)-(+)-N-hydroxy-N-(3-butyn-2-yl)urea

: 154355-76-7
atreleuton

Guidance literature:: With dichloro bis(acetonitrile) palladium(II); copper(l) iodide; diethylamine; triphenylphosphine; In N,N-dimethyl-formamide; for 22h; Ambient temperature;
DOI:10.1021/jm00024a004

Reference yield:

: 752165-24-5
2-butyn-1-ol

: aqueous H₂ NOH

: 124-63-0
methanesulfonyl chloride

: 154355-92-7
(R)-(+)-N-hydroxy-N-(3-butyn-2-yl)urea

: 154355-76-7
atreleuton

Guidance literature:: With hydrogenchloride; sodium hydroxide; triethylamine; In methanol; n-heptane; dichloromethane; water;

Reference yield:

: 459-46-1
4-Fluorobenzyl bromide

: 154355-76-7
atreleuton

Guidance literature:: Multi-step reaction with 3 steps

1: 1.) n-butyllithium, 2.) tetrakis(triphenylphosphine)palladium⁽⁰⁾ / 1.) ether, THF, hexane, 0 deg C, 1.5 h, 2.) ether, hexane, THF, RT, overnight

2: 95 percent / N-iodosuccinimide, acetic acid / CHCl₃ / 1 h / Ambient temperature

3: 18 percent / triphenylphosphine, bis(acetonitrile)palladium(II) chloride, copper(I) iodide, diethylamine / dimethylformamide / 22 h / Ambient temperature

With dichloro bis(acetonitrile) palladium(II); N-iodo-succinimide; copper(l) iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; n-butyllithium; acetic acid; diethylamine; triphenylphosphine; In chloroform; N,N-dimethyl-formamide;
DOI:10.1021/jm00024a004