Capadenoson

Base Information

Chemical Name:Capadenoson
CAS No.:544417-40-5
Molecular Formula:C₂₅H₁₈ClN₅O₂S₂
Molecular Weight:520.035
Hs Code.:
European Community (EC) Number:695-646-9
UNII:O519NVW73R
DSSTox Substance ID:DTXSID50969597
Nikkaji Number:J2.940.437B
Wikidata:Q27285331
NCI Thesaurus Code:C87279
Pharos Ligand ID:WLR8C27D2ZPV
ChEMBL ID:CHEMBL3235279
Mol file:544417-40-5.mol

Synonyms:BAY-68-4986;capadenoson

Suppliers and Price of Capadenoson

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

DC Chemicals
Capadenoson >98%
50 mg
$ 796.80

DC Chemicals
Capadenoson >98%
10 mg
$ 295.20

DC Chemicals
Capadenoson >98%
100 mg
$ 1120.00

Crysdot
Capadenoson 98+%
50mg
$ 829.00

Crysdot
Capadenoson 98+%
100mg
$ 1165.00

Crysdot
Capadenoson 98+%
10mg
$ 307.00

Crysdot
Capadenoson 98+%
5mg
$ 238.00

ChemScene
Capadenoson 99.28%
10mg
$ 443.00

ChemScene
Capadenoson 99.28%
5mg
$ 343.00

ChemScene
Capadenoson 99.28%
100mg
$ 1680.00

Total 21 raw suppliers

Chemical Property of Capadenoson

Chemical Property:

Boiling Point:787.9±70.0 °C(Predicted)
PKA:13.98±0.10(Predicted)
PSA：182.38000
Density:1.51
LogP:6.09566
Solubility.:Soluble in DMSO
XLogP3:5.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:8
Exact Mass:519.0590449
Heavy Atom Count:35
Complexity:774

Purity/Quality:

99%, ^*data from raw suppliers

Capadenoson >98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C2=C(C(=NC(=C2C#N)SCC3=CSC(=N3)C4=CC=C(C=C4)Cl)N)C#N)OCCO
Recent ClinicalTrials:Study to Investigate the Effect of the A1 Agonist Capadenoson on Ventricular HR in Patients With Persistent or Permanent Atrial Fibrillation.
Recent EU Clinical Trials:Study to investigate the effect of the A1 agonist capadenoson on ventricular HR in patients with persistent or permanent atrial fibrillation by administration of capadenoson in a dose of 4 mg once daily for five days

Technology Process of Capadenoson

There total 5 articles about Capadenoson 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: 80.0%

: 544417-40-5
Capadenoson

Guidance literature:

Reference yield: 75.1%

: 17969-22-1
4-chloromethyl-2-(4-chloro-phenyl)-thiazole

: 112906-84-0
2-[4-(2-hydroxyethoxy)benzylidene]malononitrile

: 7357-70-2
Cyanothioacetamide

: 544417-40-5
Capadenoson

Guidance literature:: 2-[4-(2-hydroxyethoxy)benzylidene]malononitrile; Cyanothioacetamide; With triethylamine; In methanol; at 40 ℃; for 3h; Large scale;

4-chloromethyl-2-(4-chloro-phenyl)-thiazole; In methanol; at 5 - 30 ℃; Large scale;