3-Amino-4-[(1H-indol-5-yl)methylidene]pent-2-ene-1,1,5-tricarbonitrile

Base Information

• Chemical Name: 3-Amino-4-[(1H-indol-5-yl)methylidene]pent-2-ene-1,1,5-tricarbonitrile
• CAS No.: 134036-53-6
• Molecular Formula: C15H9N5
• Molecular Weight: 259.26500
• DSSTox Substance ID: DTXSID90703396
• Mol file: 134036-53-6.mol

Synonyms:DTXSID90703396;3-Amino-4-[(1H-indol-5-yl)methylidene]pent-2-ene-1,1,5-tricarbonitrile

Chemical Property of 3-Amino-4-[(1H-indol-5-yl)methylidene]pent-2-ene-1,1,5-tricarbonitrile

Chemical Property:

• Boiling Point: 714.1±60.0 °C(Predicted)
• PKA: 15.95±0.30(Predicted)
• PSA: 113.18000
• Density: 1.396±0.06 g/cm3(Predicted)
• LogP: 3.03514
• Storage Temp.: −20°C
• Solubility.: DMSO: soluble
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 287.11709544
• Heavy Atom Count: 22
• Complexity: 601

Purity/Quality:

99%min ^*data from raw suppliers

AG-370 ≥95% (cis/trans mixture) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=CN2)C=C1C=C(CC#N)C(=CC(C#N)C#N)N
• Description: Protein tyrosine kinase (PTK) inhibitors are potential antiproliferative agents for diseases caused by the hyperactivity of PTKs. Tyrphostins are a class of antiproliferative compounds which selectively inhibit PTKs of key growth factors such as epidermal growth factor (EGF) or platelet-derived growth factor (PDGF) by blocking the phosphorylation of specific tyrosine residues. AG-370 is a selective inhibitor of PDGF receptor kinase with an IC50 value of 20 μM in human bone marrow fibroblasts. It displays comparatively weak inhibition of the EGF receptor (IC50 = 820 μM).