Tyrphostin AG 825

Base Information

Chemical Name:Tyrphostin AG 825
CAS No.:625836-67-1
Molecular Formula:C₁₉H₁₅N₃O₃S₂
Molecular Weight:397.478
Hs Code.:
DSSTox Substance ID:DTXSID901018047
Nikkaji Number:J577.883B
Wikidata:Q27145279
NCI Thesaurus Code:C1688
Pharos Ligand ID:2KF6ZK16NTCR
ChEMBL ID:CHEMBL118109

Synonyms:4-hydroxy-3-methoxy-5-(benzothiazolylthiomethyl)benzylidene cyanoacetamide;AG 825;AG825;tyrphostin AG825

Suppliers and Price of Tyrphostin AG 825

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

Total 0 raw suppliers

Chemical Property of Tyrphostin AG 825

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:397.05548370
Heavy Atom Count:27
Complexity:621

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC1=CC(=CC(=C1O)CSC2=NC3=CC=CC=C3S2)C=C(C#N)C(=O)N
Isomeric SMILES:COC1=CC(=CC(=C1O)CSC2=NC3=CC=CC=C3S2)/C=C(\C#N)/C(=O)N

Technology Process of Tyrphostin AG 825

There total 3 articles about Tyrphostin AG 825 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: 20.0%

: 150900-50-8
3-(Benzothiazol-2-ylsulfanylmethyl)-4-hydroxy-5-methoxy-benzaldehyde

: 107-91-5
cyanoacetic acid amide

: 625836-67-1
(E)-3-[3-(Benzothiazol-2-ylsulfanylmethyl)-4-hydroxy-5-methoxy-phenyl]-2-cyano-acrylamide

Guidance literature:: With piperidine; In ethanol; for 3h; Heating;
DOI:10.1021/jm00075a010

Reference yield:

: 28276-04-2
3-(chloromethyl)-4-hydroxy-5-methoxybenzaldehyde

: 625836-67-1
(E)-3-[3-(Benzothiazol-2-ylsulfanylmethyl)-4-hydroxy-5-methoxy-phenyl]-2-cyano-acrylamide

Guidance literature:: Multi-step reaction with 2 steps

1: 50 percent / Et₃N / CH₂Cl₂ / 3 h / Ambient temperature

2: 20 percent / piperidine / ethanol / 3 h / Heating

With piperidine; triethylamine; In ethanol; dichloromethane;
DOI:10.1021/jm00075a010

Reference yield:

: 149-30-4,118090-09-8
2-Mercaptobenzothiazole

: 625836-67-1
(E)-3-[3-(Benzothiazol-2-ylsulfanylmethyl)-4-hydroxy-5-methoxy-phenyl]-2-cyano-acrylamide

Guidance literature:: Multi-step reaction with 2 steps

1: 50 percent / Et₃N / CH₂Cl₂ / 3 h / Ambient temperature

2: 20 percent / piperidine / ethanol / 3 h / Heating

With piperidine; triethylamine; In ethanol; dichloromethane;
DOI:10.1021/jm00075a010