39061-59-1

Usage

Uses

Used in Pharmaceutical Industry:
tert-Butyl 2-chloro-2-oxoacetate is used as a reagent for the preparation of (S)-3-(Carboxyformamido)-2-(3-(carboxymethyl)ureido)propanoic Acid, which is a compound utilized in prostate cancer imaging. This application is significant as it aids in the early detection and monitoring of prostate cancer, ultimately contributing to better patient outcomes and treatment strategies.

Upstream product

• 79-37-8 oxalyl dichloride 
• 75-65-0 tert-butyl alcohol 
• 35448-10-3 oxalic acid mono-tert-butyl ester 
• 50624-94-7 oxalic acid tert-butyl ester ethyl ester 

Downstream Products

• 35454-04-7 oxalamic Acid Tert-butyl Ester 
• 126181-27-9 N-Benzhydrylidene-oxalamic acid tert-butyl ester 
• 145826-90-0 (E)-5-Benzyloxy-2-oxo-pent-3-enoic acid tert-butyl ester 
• 264131-81-9 N-{1-(1-{2-carbamoyl-1-[3-(5-methyl-indol-1-yl)-propylcarbamoyl]-ethylcarbamoyl}-cyclohexylcarbamoyl)-2-[4-(di-tert-butoxy-phosphorylmethyl)-phenyl]-ethyl}-oxalamic acid tert-butyl ester 
• 264131-67-1 2-[4-(2-(tert-butoxyoxalyl-amino)-2-{1-[2-carbamoyl-1-(3-naphthalen-1-yl-propylcarbamoyl)-ethylcarbamoyl]-cyclohexylcarbamoyl}-ethyl)-phenoxy]-malonic acid di-tert-butyl ester 
• 264131-75-1 2-[4-(2-(tert-butoxyoxalyl-amino)-2-{1-[2-carbamoyl-1-(3-naphthalen-1-yl-propylcarbamoyl)-ethylcarbamoyl]-cyclohexylcarbamoyl}-ethyl)-phenyl]-2-fluoro-malonic acid di-tert-butyl ester 
• 402924-99-6 2-{[4-(2-acetylamino-2-allyloxycarbonyl-ethyl)-2-ethyl-phenyl]-tert-butoxyoxalyl-amino}-benzoic acid 
• 690254-54-7 N-{1-{1-[2-carbamoyl-1-(3-naphthalen-1-yl-propylcarbamoyl)-ethylcarbamoyl]-cyclohexylcarbamoyl}-2-[4-(diethoxy-phosphoryl)-phenyl]-1-methyl-ethyl}-oxalamic acid tert-butyl ester 
• 852714-71-7 tert-butyl 2-{(9S,10S,18S,14R)-7,16,19-triaza-10-(4-[(tert-butyl)oxycarbonylamino]phenyl)-18-(carbamoylmethyl)-14-[(5-methylindolyl)methyl]-8,17,20-trioxospiro[5.14]icos-11-en-9-yl}acetate 
• 402925-11-5 2-(tert-butoxyoxalyl-{4-[2-methoxycarbonylamino-2-(2-trimethylsilanyl-ethoxycarbonyl)-ethyl]-naphthalen-1-yl}-amino)-benzoic acid 
• 35448-10-3 oxalic acid mono-tert-butyl ester 

Relevant academic research and scientific papers

CARBON MONOXIDE PRODRUGS FOR THE TREATMENT OF MEDICAL DISORDERS

The present invention provides new compounds and compositions thereof that release carbon monoxide for the treatment of medical disorders that are responsive to carbon monoxide, for example, inflammatory, pain, and dermatological disorders.

PSMA (Prostate-Specific Membrane Antigen) inhibitor, compound and application

The invention belongs to the technical field of biomedicines and in particular relates to a PSMA (Prostate-Specific Membrane Antigen) inhibitor, a compound and application. The PSMA inhibitor of a novel core structure, which is provided by the invention, has very high affinity, is stable in structure and has wide application prospects.

Cationic Chiral Pd-Catalyzed “Acetylenic” Diels–Alder Reaction: Computational Analysis of Reversal in Enantioselectivity

The highly enantioselective Diels–Alder reaction of acetylenic dienophiles is shown to be effectively catalyzed by cationic chiral palladium complexes. Not only the degree but also the sense of enantioselectivity critically depends on the steric demand of ligands. Computational analyses indicate that the steric demand does not affect the endo/exo-selectivity but the enantioface selectivity of dienes.

(2S,4R)-5-(5'-CHLORO-2'-FLUOROBIPHENYL-4-YL)-4-(ETHOXYOXALYLAMINO)-2-HYDROXYMETHYL-2-METHYLPENTANOIC ACID

In one aspect, the invention relates to a compound of the structure: or a pharmaceutically acceptable salt thereof, and a crystalline form of this compound, having neprilysin inhibition activity. In another aspect, the invention relates to pharmaceutical

Syntheses and biological evaluation of 2-amino-3-acyl- tetrahydrobenzothiophene derivatives; Antibacterial agents with antivirulence activity

Developing new compounds targeting virulence factors (e.g., inhibition of pilus assembly by pilicides) is a promising approach to combating bacterial infection. A high-throughput screening campaign of a library of 17500 small molecules identified 2-amino-3-acyl-tetrahydrobenzothiophene derivatives (hits 2 and 3) as novel inhibitors of pili-dependent biofilm formation in a uropathogenic Escherichia coli strain UTI89. Based on compounds 2 and 3 as the starting point, we designed and synthesized a series of structurally related analogs and investigated their activity against biofilm formation of E. coli UTI89. Systematic structural modification of the initial hits provided valuable information on their SARs for further optimization. In addition, small structural changes to the parent molecules resulted in low micromolar inhibitors (20-23) of E. coli biofilm development without an effect on bacterial growth. The hit compound 3 and its analog 20 were confirmed to prevent pili formation in a hemagglutination (HA) titer assay and electron microscopy (EM) measurements. These findings suggest that 2-amino-3-acyl-tetrahydrobenzothiophenes may serve as a new class of compounds for further elaboration as antibacterial agents with antivirulence activity.

NEPRILYSIN INHIBITORS

In one aspect, the invention relates to compounds having the formula: where R1-R5 and X are as defined in the specification, or a pharmaceutically acceptable salt thereof. These compounds have neprilysin inhibition activity. In another aspect, the invention relates to pharmaceutical compositions comprising such compounds; methods of using such compounds; and processes and intermediates for preparing such compounds.

Identification of a nonbasic melanin hormone receptor 1 antagonist as an antiobesity clinical candidate

Identification of MCHR1 antagonists with a preclinical safety profile to support clinical evaluation as antiobesity agents has been a challenge. Our finding that a basic moiety is not required for MCHR1 antagonists to achieve high affinity allowed us to explore structures less prone to off-target activities such as hERG inhibition. We report the SAR evolution of hydroxylated thienopyrimidinone ethers culminating in the identification of 27 (BMS-819881), which entered obesity clinical trials as the phosphate ester prodrug 35 (BMS-830216).

Serine-selective aerobic cleavage of peptides and a protein using a water-soluble copper-organoradical conjugate

The site-specific cleavage of peptide bonds is an important chemical modification of biologically relevant macromolecules. The reaction is not only used for routine structural determination of peptides, but is also a potential artificial modulator of protein function. Realizing the substrate scope beyond the conventional chemical or enzymatic cleavage of peptide bonds is, however, a formidable challenge. Here we report a serine-selective peptide-cleavage protocol that proceeds at room temperature and near neutral pH value, through mild aerobic oxidation promoted by a water-soluble copper-organoradical conjugate. The method is applicable to the site-selective cleavage of polypeptides that possess various functional groups. Peptides comprising D-amino acids or sensitive disulfide pairs are competent substrates. The system is extendable to the site-selective cleavage of a native protein, ubiquitin, which comprises more than 70 amino acid residues.

NEPRILYSIN INHIBITORS

In one aspect, the invention relates to compounds having the formula: where R1-R6, a, b, and Z are as defined in the specification, or a pharmaceutically acceptable salt thereof. These compounds have neprilysin inhibition activity. In another aspect, the invention relates to pharmaceutical compositions comprising such compounds; methods of using such compounds; and processes and intermediates for preparing such compounds.

Asymmetric hetero-diels-alder reaction of danishefsky's dienes with α-carbonyl esters catalyzed by an indium(III)-PyBox complex

An efficient catalytic enantioselective hetero-Diels-Alder reaction of Danishefsky's dienes with α-carbonyl esters using a chiral In(III)-pybox complex has been demonstrated. This protocol offers several advantages, including mild reaction conditions, relatively low catalyst loading, and good to excellent enantioselectivities. Furthermore, the absolute configurations of the new alkynyl-containing products were determined by CD spectra in combination with TD-DFT calculations.