4H-Thieno[2,3-c]isoquinolin-5-one

Base Information

Chemical Name:4H-Thieno[2,3-c]isoquinolin-5-one
CAS No.:420849-22-5
Molecular Formula:C11H7NOS
Molecular Weight:201.24400
Hs Code.:
European Community (EC) Number:636-987-5
DSSTox Substance ID:DTXSID10432530
Nikkaji Number:J3.043.247I
Wikidata:Q27460510
Pharos Ligand ID:CYJUG62UXTZ4
ChEMBL ID:CHEMBL3108871
Mol file:420849-22-5.mol

Synonyms:thieno(2,3-c)isoquinolin-5-one;TIQ-A cpd

Suppliers and Price of 4H-Thieno[2,3-c]isoquinolin-5-one

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

TRC
TIQ-A
1mg
$ 45.00

Sigma-Aldrich
TIQ-A ≥98% (HPLC), solid
5mg
$ 332.00

Sigma-Aldrich
TIQ-A ≥98% (HPLC), solid
1mg
$ 99.40

Cayman Chemical
TIQ-A ≥98%
10mg
$ 352.00

Cayman Chemical
TIQ-A ≥98%
1mg
$ 50.00

Cayman Chemical
TIQ-A ≥98%
500μg
$ 28.00

Cayman Chemical
TIQ-A ≥98%
5mg
$ 204.00

American Custom Chemicals Corporation
TIQ-A 95.00%
1MG
$ 160.65

American Custom Chemicals Corporation
TIQ-A 95.00%
50MG
$ 1732.50

American Custom Chemicals Corporation
TIQ-A 95.00%
5MG
$ 756.25

Total 3 raw suppliers

Chemical Property of 4H-Thieno[2,3-c]isoquinolin-5-one

Chemical Property:

Vapor Pressure:0.003mmHg at 25°C
Melting Point:256-258°C
Boiling Point:282.167oC at 760 mmHg
PKA:13.04±0.20(Predicted)
Flash Point:124.451oC
PSA：61.10000
Density:1.359g/cm3
LogP:2.74280
Storage Temp.:2-8°C
Solubility.:DMSO: 16 mg/mL, soluble
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:201.02483502
Heavy Atom Count:14
Complexity:256

Purity/Quality:

97% ^*data from raw suppliers

TIQ-A ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 20/21/22

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C3=C(NC2=O)SC=C3
Uses A cell permeable, potent PARP inhibitor with an IC50 of 450nM. Shown to be neuroprotective against oxygen-glucose deprivation injury in vitro in cultured murine cortical cells ( IC50 of 150nM) and i n vivi in rat transient focal ischemia model (3 mg/kg ip). A cell permeable, potent PARP inhibitor with an IC50 of 450nM. Shown to be neuroprotective against oxygen-glucose deprivation injury in vitro in cultured murine cortical cells ( IC50 of 150nM) and in vivi in rat transient focal ischemia model (3 mg/kg ip).

Technology Process of 4H-Thieno[2,3-c]isoquinolin-5-one

There total 3 articles about 4H-Thieno[2,3-c]isoquinolin-5-one 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:

: 10341-88-5
3-phenyl-thiophen-2-carboxylic acid

: 420849-22-5
TIQ-A

Guidance literature:: With thionyl chloride; sodium azide; In tetrahydrofuran; water; 1,2-dichloro-benzene; benzene;

Reference yield:

: 3-phenylthiophene-2-carbonyl azide

: 420849-22-5
TIQ-A

Guidance literature:: In 1,2-dichloro-benzene; for 10h; Heating;
DOI:10.1016/S0014-827X(03)00143-5

Reference yield:

: 98-80-6
phenylboronic acid

: 420849-22-5
TIQ-A

Guidance literature:: Multi-step reaction with 3 steps

1: sodium hydroxide; tetrabutylammomium bromide; tetrakis(triphenylphosphine) palladium⁽⁰⁾ / tetrahydrofuran; water / 173 °C / Flow reactor

2: triethylamine; diphenyl phosphoryl azide / 1,2-dichloro-benzene / 25 °C / Flow reactor

3: 1,2-dichloro-benzene / 235 °C / Flow reactor

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; diphenyl phosphoryl azide; tetrabutylammomium bromide; triethylamine; sodium hydroxide; In tetrahydrofuran; water; 1,2-dichloro-benzene; 1: |Suzuki Coupling / 3: |Curtius Rearrangement;
DOI:10.1021/op500074h