91133-59-4

Basic information

• Product Name: 3-methyl-3-phenyl-2-oxobutanoic acid
• Synonyms: 3-methyl-3-phenyl-2-oxobutanoic acid
• CAS NO: 91133-59-4
• Molecular Weight: 192.214
• Mol File: 91133-59-4.mol
• Article Data: 7

Chemical Properties

• CAS DataBase Reference: 3-methyl-3-phenyl-2-oxobutanoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3-methyl-3-phenyl-2-oxobutanoic acid(91133-59-4)
• EPA Substance Registry System: 3-methyl-3-phenyl-2-oxobutanoic acid(91133-59-4)

Safety Data

• Hazardous Substances Data: 91133-59-4(Hazardous Substances Data)

Upstream product

• 599-64-4 p-cumylphenol 
• 64888-14-8 4,6-bis-(1-methyl-1-phenyl-ethyl)-pyrogallol 
• 4658-69-9 α-keto-β-phenylbutyric acid 
• 74-88-4 methyl iodide 
• 156-06-9 2-oxo-3-(phenyl)propionic acid 
• 125116-84-9 2-oxo-3-(p-hydroxycarbonylphenyl)butanoic acid 

Downstream Products

• 676487-49-3 N,β,β-trimethylphenylalanine 
• 765930-98-1 methyl 3-phenyl-3-methyl-2-oxobutanoate 
• 54934-36-0 ethyl 3-methyl-2-oxo-3-phenylbutanoate 
• 756894-41-4 4-bromo-N,β,β-trimethyl-L-phenylalanyl-N¹-[(1S,2E)-4-ethoxy-1-isopropyl-3-methyl-4-oxo-2-butenyl]-N¹,3-dimethyl-L-valinamide 
• 676627-57-9 4-bromo-N-β,β-trimethylphenylalanyl-N¹-[(1S,2E)-4-ethoxy-1-isopropyl-3-methyl-4-oxo-2-butenyl]-N¹,3-dimethyl-valinamide 
• 845292-39-9 ethyl (E,4S)-4-[{(2S)-2-[(2-methoxy-3-methyl-3-phenylbutanoyl)amino]-3,3-dimethylbutanoyl}(methyl)amino]-2,5-dimethyl-2-hexenoate 
• 676627-55-7 4-bromo-N,β,β-trimethylphenylalanine 
• 765931-01-9 2-methoxy-3-methyl-3-phenylbutanoic acid 
• 765932-24-9 methyl 2-methoxy-3-methyl-3-phenylbutanoate 
• 77586-78-8 (+/-)-methyl 2-hydroxy-3-methyl-3-phenylbutanoate 
• 77586-77-7 2-hydroxy-3-methyl-3-phenylbutanoic acid 
• 676627-53-5 3-methyl-3-(4-bromophenyl)-2-oxobutanoic acid 

Relevant articles and documents

Constraining the Side Chain of C-Terminal Amino Acids in Apelin-13 Greatly Increases Affinity, Modulates Signaling, and Improves the Pharmacokinetic Profile

Side-chain-constrained amino acids are useful tools to modulate the biological properties of peptides. In this study, we applied side-chain constraints to apelin-13 (Ape13) by substituting the Pro12 and Phe13 positions, affecting the binding affinity and signaling profile on the apelin receptor (APJ). The residues 1Nal, Trp, and Aia were found to be beneficial substitutions for Pro12, and the resulting analogues displayed high affinity for APJ (Ki 0.08-0.18 nM vs Ape13 Ki 0.7 nM). Besides, constrained (d-Tic) or α,α-disubstituted residues (Dbzg; d-α-Me-Tyr(OBn)) were favorable for the Phe13 position. Compounds 47 (Pro12-Phe13 replaced by Aia-Phe, Ki 0.08 nM) and 53 (Pro12-Phe13 replaced by 1Nal-Dbzg, Ki 0.08 nM) are the most potent Ape13 analogues activating the Gα12 pathways (53, EC50 Gα12 2.8 nM vs Ape13, EC50 43 nM) known to date, displaying high affinity, resistance to ACE2 cleavage as well as improved pharmacokinetics in vitro (t1/2 5.8-7.3 h in rat plasma) and in vivo.

Absolute configurations of tubulin inhibitors taltobulin (HTI-286) and HTI-042 characterized by X-ray diffraction analysis and NMR studies

The stereochemistry of the tubulin inhibitors taltobulin HTI-286 (2) and HTI-042 (3) was determined by utilizing the DPFGSE 1D NOE experiment. Single crystal X-ray diffraction analysis further confirmed the absolute configuration of these two compounds, w

Compounds for treating tumors

The invention provides compounds of formula (I): wherein E, A, B′, R6, R7, R8, and R9 are defined in the specification which compounds exhibit anticancer activity and are useful for treating cancer.