3-[2,4-dimethyl-5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid

Base Information

• Chemical Name: 3-[2,4-dimethyl-5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid
• CAS No.: 252916-29-3
• Molecular Formula: C18H18N2O3
• Molecular Weight: 310.3471
• DSSTox Substance ID: DTXSID5043716
• Pharos Ligand ID: XM63ATU6LPUZ
• ChEMBL ID: CHEMBL2007064
• Mol file: 252916-29-3.mol

Synonyms:3-[2,4-Dimethyl-5-(2-oxo-1,2-dihydroindol-3-ylidenemethyl)-1H-pyrrol-3-yl]propionicacid;3-[2,4-Dimethyl-5-[(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propionicacid;3-[4-(2-Carboxyethyl)-3,5-dimethylpyrrol-2-methylidenyl]-2-indolinone;5-[(1,2-Dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-propanoicacid;NSC 702827;SU 6668;TSU 68;

Chemical Property of 3-[2,4-dimethyl-5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid

Chemical Property:

• Vapor Pressure: 8.68E-15mmHg at 25°C
• Melting Point: 252-254 °C
• Refractive Index: 1.674
• Boiling Point: 590.5 °C at 760 mmHg
• PKA: 4?+-.0.10(Predicted)
• Flash Point: 310.9 °C
• PSA: 82.19000
• Density: 1.328 g/cm³
• LogP: 3.27940
• Storage Temp.: Store at RT
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 310.13174244
• Heavy Atom Count: 23
• Complexity: 516

Purity/Quality:

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

TSU-68 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(NC(=C1CCC(=O)O)C)C=C2C3=CC=CC=C3NC2=O
• Uses: 3-[2,4-dimethyl-5-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid is a potent inhibitor of Flk-1/KDR, FGFR1 and PDGFRβ with Ki of 2.1 μM, 1.2 μM, and 8 nM, respectively. TSU-68 is a inhibitor that targets vascular endothelial growth factor receptor 2, platelet-derived growth factor receptor β, and fibroblast growth factor receptor 1. The inhibitory effects of TSU-68 t owards these growth factors lead to substantial antitumor activity and showed potential in its development in therapeutic uses. TSU-68 is a inhibitor that targets vascular endothelial growth factor receptor 2, platelet-derived growth factor receptor β, and fibroblast growth factor receptor 1. The inhibitory effects of TSU-68 towards these growth factors lead to substantial antitumor activity and showed potential in its development in therapeutic uses.