1-(5-Isoquinolinesulfonyl)piperazine

Base Information

Chemical Name:1-(5-Isoquinolinesulfonyl)piperazine
CAS No.:84468-24-6
Molecular Formula:C13H15 N3 O2 S
Molecular Weight:277.347
Hs Code.:2935009090
European Community (EC) Number:635-920-7
DSSTox Substance ID:DTXSID60233438
Nikkaji Number:J285.100H
Wikidata:Q27164985
ChEMBL ID:CHEMBL75773
Mol file:84468-24-6.mol

Synonyms:1-(5-isoquinolinesulfonyl)piperazine;C-I-QP

Suppliers and Price of 1-(5-Isoquinolinesulfonyl)piperazine

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

Usbiological
HA-100 Dihydrochloride
25mg
$ 505.00

Usbiological
C-1
10mg
$ 409.00

Tocris
C-1 ≥99%(HPLC)
10
$ 163.00

Tocris
C-1 ≥99%(HPLC)
50
$ 669.00

Medical Isotopes, Inc.
1-(5-Isoquinolinesulfonyl)piperazineDiHCl 99%
25 mg
$ 825.00

ChemScene
HA-100 99.77%
100mg
$ 900.00

ChemScene
HA-100 99.77%
10mg
$ 120.00

ChemScene
HA-100 99.77%
5mg
$ 72.00

ChemScene
HA-100 99.77%
25mg
$ 264.00

ChemScene
HA-100 99.77%
50mg
$ 480.00

Total 15 raw suppliers

Chemical Property of 1-(5-Isoquinolinesulfonyl)piperazine

Chemical Property:

Appearance/Colour:Pale Yellow Crystalline Solid
Vapor Pressure:4.97E-10mmHg at 25°C
Boiling Point:497.4°C at 760 mmHg
Flash Point:254.6°C
PSA：70.68000
Density:1.332g/cm³
LogP:2.17620
Storage Temp.:−20°C
Solubility.:DMSO, Methanol, Water
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:277.08849790
Heavy Atom Count:19
Complexity:401

Purity/Quality:

98% ^*data from raw suppliers

HA-100 Dihydrochloride ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN(CCN1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3
Uses Exhibited potent inhibition toward protein kinase C and cyclic nucleotide dependent protein kinases

Technology Process of 1-(5-Isoquinolinesulfonyl)piperazine

There total 3 articles about 1-(5-Isoquinolinesulfonyl)piperazine 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: 89.0%

: 110-85-0
piperazine

: 84468-15-5
5-isoquinolinesulfonyl chloride

: 84468-24-6
(5-isoquinolinylsulfonyl)piperazine

Guidance literature:: With potassium carbonate; In dichloromethane;

Reference yield: 56.0%

: 105627-79-0
isoquinoline-5-sulfonyl chloride hydrochloride

: 57260-71-6
1-t-Butoxycarbonylpiperazine

: 84468-24-6
(5-isoquinolinylsulfonyl)piperazine

Guidance literature:: isoquinoline-5-sulfonyl chloride hydrochloride; 1-t-Butoxycarbonylpiperazine; With triethylamine; In dichloromethane; at 20 ℃; for 2h;

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 1h;
DOI:10.1039/c9cc09595k

Reference yield:

: 27655-40-9
isoquinoline-5-sulfonic acid

: 84468-24-6
(5-isoquinolinylsulfonyl)piperazine

Guidance literature:: Multi-step reaction with 2 steps

1: thionyl chloride / N,N-dimethyl-formamide / 2 h / 70 °C / Inert atmosphere

2: pyridine; triethylamine / acetonitrile / 2 h / -5 - 20 °C

With pyridine; thionyl chloride; triethylamine; In N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/acs.jmedchem.1c01255