Tyrphostin AG 126

Base Information

• Chemical Name: Tyrphostin AG 126
• CAS No.: 118409-62-4
• Molecular Formula: C₁₀H₅N₃O₃
• Molecular Weight: 215.168
• Hs Code.: 2926907090
• European Community (EC) Number: 634-194-9
• UNII: 7YA4AMD1JC
• DSSTox Substance ID: DTXSID80152117
• Nikkaji Number: J928.849J
• Wikidata: Q27166506
• NCI Thesaurus Code: C1713
• ChEMBL ID: CHEMBL77387
• Mol file: 118409-62-4.mol

Synonyms:AG 126;AG 127;AG-126;AG-127;AG126;alpha-cyano-(3-hydroxy-4-nitro)cinnamonitrile;tyrphostin AG127

Chemical Property of Tyrphostin AG 126

Chemical Property:

• Vapor Pressure: 2.24E-06mmHg at 25°C
• Boiling Point: 381.9°Cat760mmHg
• Flash Point: 184.8°C
• PSA: 113.63000
• Density: 1.496g/cm³
• LogP: 2.25416
• Storage Temp.: −20°C
• Sensitive.: Light Sensitive
• Solubility.: ≤0.15mg/ml in ethanol;10mg/ml in DMSO;10mg/ml in dimethyl formamide
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 215.03309103
• Heavy Atom Count: 16
• Complexity: 388

Purity/Quality:

98%Min ^*data from raw suppliers

AG 126 ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 23/24/25
• Safety Statements: 26-36-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C=C(C#N)C#N)O)[N+](=O)[O-]

Technology Process of Tyrphostin AG 126

There total 2 articles about Tyrphostin AG 126 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: 78.0%

5-formyl-2-nitrophenol (704-13-2) + malononitrile (109-77-3) → tyrphostin AG126 (118409-62-4)

Guidance literature:

With piperidine; In ethanol; Heating;

DOI:10.1021/jm00130a020

Reference yield:

→ tyrphostin AG126 (118409-62-4)

Guidance literature:

upstream raw materials:

5-formyl-2-nitrophenol

malononitrile

Refernces

• 1、 -. "Cosmetic composition containing DOPA derivatives". . . Retrieved 2008/06/13.
• 2、 Gazit, Aviv,Yaish, Pnina,Gilon, Chaim,Levitzki, Alexander. "Tyrphostins I: Synthesis and Biological Activity of Protein Tyrosine Kinase Inhibitors". . p. 2344 - 2352. Retrieved 2007/10/02.