4-[(7-oxo-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-ylidene)methylamino]-N-(2-pyridinyl)benzenesulfonamide

Base Information

Chemical Name:4-[(7-oxo-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-ylidene)methylamino]-N-(2-pyridinyl)benzenesulfonamide
CAS No.:222036-17-1
Deprecated CAS:944162-38-3
Molecular Formula:C₂₁H₁₅N₅O₃S₂
Molecular Weight:449.514
Hs Code.:
Nikkaji Number:J1.498.075J
Wikidata:Q27167138
Pharos Ligand ID:4LQ46SKBCC6F
ChEMBL ID:CHEMBL1276446,CHEMBL1973540
Mol file:222036-17-1.mol

Synonyms:GW8510

Suppliers and Price of 4-[(7-oxo-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-ylidene)methylamino]-N-(2-pyridinyl)benzenesulfonamide

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
GW8510 solid
5mg
$ 413.00

American Custom Chemicals Corporation
GW8510 95.00%
5MG
$ 967.48

American Custom Chemicals Corporation
GW8510 95.00%
1MG
$ 651.13

Total 8 raw suppliers

Chemical Property of 4-[(7-oxo-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-ylidene)methylamino]-N-(2-pyridinyl)benzenesulfonamide

Chemical Property:

PKA:8.39±0.10(Predicted)
Density:1.635±0.06 g/cm3(Predicted)
Storage Temp.:room temp
Solubility.:DMSO: soluble
XLogP3:3.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:449.06163170
Heavy Atom Count:31
Complexity:753

Purity/Quality:

98%,99%, ^*data from raw suppliers

GW8510 solid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=CC3=C(NC4=C3C5=C(C=C4)N=CS5)O

Technology Process of 4-[(7-oxo-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-ylidene)methylamino]-N-(2-pyridinyl)benzenesulfonamide

There total 4 articles about 4-[(7-oxo-6H-pyrrolo[2,3-g][1,3]benzothiazol-8-ylidene)methylamino]-N-(2-pyridinyl)benzenesulfonamide 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: 71.0%

: 144-83-2
sulphapyridine

: 222036-33-1
8-(ethoxymethylene)-6,8-dihydro-7H-[1,3]thiazolo[5,4-e]indol-7-one

: 222036-17-1
4-{[(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}-N-(2-pyridinyl)benzenesulfonamide

Guidance literature:: In ethanol; for 18h; Heating;
DOI:10.1021/jm010117d

Reference yield:

: 222036-26-2
8-(methylsulfanyl)-6,8-dihydro-7H-[1,3]thiazolo[5,4-e]indol-7-one

: 222036-17-1
4-{[(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}-N-(2-pyridinyl)benzenesulfonamide

Guidance literature:: Multi-step reaction with 3 steps

1: 49 percent / Zn; acetic acid / tetrahydrofuran / 3.5 h / 60 - 65 °C

2: 82 percent / acetic acid / 1.5 h / Heating

3: 71 percent / ethanol / 18 h / Heating

With acetic acid; zinc; In tetrahydrofuran; ethanol;
DOI:10.1021/jm010117d

Reference yield:

: 533-30-2
1,3-benzothiazol-6-amine

: 222036-17-1
4-{[(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)methyl]amino}-N-(2-pyridinyl)benzenesulfonamide

Guidance literature:: Multi-step reaction with 4 steps

1: 49 percent / Zn; acetic acid / tetrahydrofuran / 3.5 h / 60 - 65 °C

2: 82 percent / acetic acid / 1.5 h / Heating

3: 71 percent / ethanol / 18 h / Heating

With acetic acid; zinc; In tetrahydrofuran; ethanol;
DOI:10.1021/jm010117d