Tyrphostin AG 538

Base Information

Chemical Name:Tyrphostin AG 538
CAS No.:133550-18-2
Molecular Formula:C16H11 N O5
Molecular Weight:297.267
Hs Code.:
NSC Number:676485
UNII:974K3CXM9B
DSSTox Substance ID:DTXSID701017643
Nikkaji Number:J412.905I,J1.517.596F
Pharos Ligand ID:49H34J2MJZ1X
ChEMBL ID:CHEMBL56393
Mol file:133550-18-2.mol

Synonyms:AG 538;AG-538;tyrphostin AG 538

Suppliers and Price of Tyrphostin AG 538

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
AG 538
5mg
$ 85.65

American Custom Chemicals Corporation
TYRPHOSTIN AG 538 95.00%
25MG
$ 657.31

Total 2 raw suppliers

Chemical Property of Tyrphostin AG 538

Chemical Property:

Boiling Point:637.5±55.0 °C(Predicted)
PKA:7.48±0.35(Predicted)
PSA：121.78000
Density:1.538±0.06 g/cm3(Predicted)
LogP:2.29888
Storage Temp.:−20°C
XLogP3:2.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:297.06372245
Heavy Atom Count:22
Complexity:494

Purity/Quality:

98%Min ^*data from raw suppliers

AG 538 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 22-24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=C(C=C1C=C(C#N)C(=O)C2=CC(=C(C=C2)O)O)O)O
Isomeric SMILES:C1=CC(=C(C=C1/C=C(\C#N)/C(=O)C2=CC(=C(C=C2)O)O)O)O

Technology Process of Tyrphostin AG 538

There total 2 articles about Tyrphostin AG 538 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: 42.0%

: 133550-57-9
cyanomethyl-(3,4-dihydroxyphenyl)ketone

: 139-85-5
3,4-dihydroxybenzaldehyde

: 133550-18-2
tyrphostin AG 538

Guidance literature:: DOI:10.1021/jm00110a022

Reference yield:

: 99-40-1
2-chloro-3',4'-dihydroxyacetophenone

: 133550-18-2
tyrphostin AG 538

Guidance literature:: Multi-step reaction with 2 steps

1: 18 percent / dimethylsulfoxide / 2.5 h / 100 °C

2: 42 percent

In dimethyl sulfoxide;
DOI:10.1021/jm00110a022