29587-82-4

Basic information

• Product Name: (E)-4-(4-isopropylphenyl)-4-oxo-2-butenoic acid
• Synonyms: (E)-4-(4-isopropylphenyl)-4-oxo-2-butenoic acid
• CAS NO: 29587-82-4
• Molecular Weight: 218.252
• Mol File: 29587-82-4.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: (E)-4-(4-isopropylphenyl)-4-oxo-2-butenoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: (E)-4-(4-isopropylphenyl)-4-oxo-2-butenoic acid(29587-82-4)
• EPA Substance Registry System: (E)-4-(4-isopropylphenyl)-4-oxo-2-butenoic acid(29587-82-4)

Safety Data

• Hazardous Substances Data: 29587-82-4(Hazardous Substances Data)

Upstream product

• 108-31-6 maleic anhydride 
• 98-82-8 Isopropylbenzene 

Downstream Products

• 1220094-90-5 (E)-4-(4-isopropylphenyl)-4-oxo-2-butenoic acid phenylamide 
• 1429427-69-9 (E)-4-(4-isopropylphenyl)-4-oxo-2-butenoic acid cyclohexylamide 
• 1615217-70-3 (E)-4-(4-isopropylphenyl)-4-oxo-2-butenoic acid (4-isopropylphenyl)amide 
• 1429427-68-8 (E)-4-(4-isopropylphenyl)-4-oxo-2-butenoic acid (3,5-dimethoxyphenyl)amide 
• 1615217-40-7 N-cyclohexyl-4-(4-isopropylphenyl)-4-oxo-2-(1-piperidinyl)butanamide 
• 1615217-39-4 N-(4-isopropylphenyl)-4-(4-isopropylphenyl)-4-oxo-2-[1-(4-methylpiperazinyl)]butanamide 
• 1615217-38-3 N-(4-isopropylphenyl)-4-(4-isopropylphenyl)-4-oxo-2-(4-morpholinyl)butanamide 
• 1615217-37-2 N-(4-isopropylphenyl)-4-(4-isopropylphenyl)-4-oxo-2-(1-imidazolyl)butanamide 
• 1615217-36-1 N-(4-isopropylphenyl)-4-(4-isopropylphenyl)-4-oxo-2-(1-piperidinyl)butanamide 
• 1615217-35-0 N-(3,5-dimethoxyphenyl)-4-(4-isopropylphenyl)-4-oxo-2-[1-(4-methylpiperazinyl)]butanamide 
• 1615217-69-0 N-(3,5-dimethoxyphenyl)-2-[4-(2-dimethylaminoethyl)-1-piperazinyl]-4-(4-isopropylphenyl)-4-oxobutanamide 
• 1615217-34-9 N-(3,5-dimethoxyphenyl)-4-(4-isopropylphenyl)-4-oxo-2-(4-morpholinyl)butanamide 
• 1615217-33-8 N-(3,5-dimethoxyphenyl)-4-(4-isopropylphenyl)-4-oxo-2-(1-imidazolyl)butanamide 
• 1615217-43-0 N-cyclohexyl-4-(4-isopropylphenyl)-4-oxo-2-[1-(4-methylpiperazinyl)]butanamide 

Relevant articles and documents

Structural modifications of 4-aryl-4-oxo-2-aminylbutanamides and their acetyl- and butyrylcholinesterase inhibitory activity. Investigation of AChE-ligand interactions by docking calculations and molecular dynamics simulations

Congeneric set of thirty-eight 4-aryl-4-oxo-2-(N-aryl/cycloalkyl) butanamides has been designed, synthesized and evaluated for acetyl- and butyrylcholinesterase inhibitory activity. Structural variations included cycloalkylamino group attached to C2 posit

Antiproliferative activity of aroylacrylic acids. Structure-activity study based on molecular interaction fields

Antiproliferative activity of 27 phenyl-substituted 4-aryl-4-oxo-2-butenoic acids (aroylacrylic acids) toward Human cervix carcinoma (HeLa), Human chronic myelogenous leukemia (K562) and Human colon tumor (LS174) cell lines in vitro are reported. Compounds are active toward all examined cell lines. The most active compounds bear two or three branched alkyl or cycloalkyl substituents on phenyl moiety having potencies in low micromolar ranges. One of most potent derivatives arrests the cell cycle at S phase in HeLa cells. The 3D QSAR study, using molecular interaction fields (MIF) and derived alignment independent descriptors (GRIND-2), rationalize the structural characteristics correlated with potency of compounds. Covalent chemistry, most possibly involved in the mode of action of reported compounds, was quantitatively accounted using frontier molecular orbitals. Pharmacophoric pattern of most potent compounds are used as a template for virtual screening, to find similar ones in database of compounds screened against DTP-NCI 60 tumor cell lines. Potency of obtained hits is well predicted.