Surinabant

Base Information

Chemical Name:Surinabant
CAS No.:288104-79-0
Molecular Formula:C23H23BrCl2N4O
Molecular Weight:522.272
Hs Code.:
UNII:SF8R9VCB0X
DSSTox Substance ID:DTXSID2047357
Nikkaji Number:J2.548.517C
Wikipedia:Surinabant
Wikidata:Q7646304
NCI Thesaurus Code:C87598
Pharos Ligand ID:D223HVKZX4JD
Metabolomics Workbench ID:153941
ChEMBL ID:CHEMBL189676
Mol file:288104-79-0.mol

Synonyms:5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-ethyl-N-(1-piperidinyl)-1H-pyrazole-3-carboxamide;SR 147778;SR-147778;SR147778;surinabant

Suppliers and Price of Surinabant

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
SURINABANT 95.00%
5MG
$ 458.12

Total 9 raw suppliers

Chemical Property of Surinabant

Chemical Property:

Refractive Index:1.671
PSA：53.65000
Density:1.505 g/cm³
LogP:6.81440
XLogP3:7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:520.04323
Heavy Atom Count:31
Complexity:600

Purity/Quality:

98% ^*data from raw suppliers

SURINABANT 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Br
Recent ClinicalTrials:Efficacy and Safety of Surinabant Treatment as an Aid to Smoking Cessation (SURSMOKE)
Recent EU Clinical Trials:A randomized, double-blind, placebo-controlled, parallel group, fixed-dose, 8-week

Technology Process of Surinabant

There total 3 articles about Surinabant 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:

: 288104-78-9
ethyl 3-(4-bromobenzoyl)-2-[(2,4-dichlorophenyl)hydrazono]-pentanoate

: 2213-43-6
1-Aminopiperidine

: 288104-79-0
surinabant

Guidance literature:: ethyl 3-(4-bromobenzoyl)-2-[(2,4-dichlorophenyl)hydrazono]-pentanoate; With acetic acid; for 16h; Heating / reflux;

1-Aminopiperidine; manganese(II) acetate; at 140 - 145 ℃; for 20h;

Reference yield:

: 288104-77-8
3-(4-bromobenzoyl)-2-oxo-ethyl pentanoate

: 5446-18-4
2,4-dichlorophenyl hydrazine hydrochloride

: 288104-79-0
surinabant

Guidance literature:: Multi-step reaction with 2 steps

2.1: acetic acid / 16 h / Heating / reflux

2.2: 20 h / 140 - 145 °C

With acetic acid;