30186-48-2

Upstream product

• 2051-97-0 1-benzyl-1H-pyrrole 
• 68-12-2 N,N-dimethyl-formamide 
• 93-61-8 N-methyl-N-phenylformamide 
• 7126-39-8 pyrrole-3-carboxaldehyde 
• 100-39-0 benzyl bromide 
• 50634-05-4 2,5-dimethoxy-3-tetrahydrofurancarboxaldehyde 
• 100-46-9 benzylamine 
• 56454-01-4 1-benzyl-2-chloro-1H-pyrrole 
• 4412-91-3 furan-3-methanol 
• 179057-37-5 N-((furan-3-yl)methyl)(phenyl)methanamine 
• 63184-61-2 3-(bromomethyl)furan 
• 2589-31-3 N-benzylpyridinium bromide 
• 128259-47-2 1-benzylpyrrole-3-carboxylic acid ethyl ester 
• 84092-58-0 (1-benzyl-1H-pyrrol-3-yl)methanol 

Downstream Products

• 956438-25-8 (1-benzyl-1H-pyrazol-4-ylmethyl)-methyl-amine 
• 84092-58-0 (1-benzyl-1H-pyrrol-3-yl)methanol 

Relevant academic research and scientific papers

5(6)-anti-substituted-2-azabicyclo[2.1.1]hexanes: A nucleophilic displacement route

(Chemical Equation Presented) Nucleophilic displacements of 5(6)-anti-bromo substituents in 2-azabicyclo[2.1.1]hexanes (methanopyrrolidines) have been accomplished. These displacements have produced 5-anti-X-6-anti-Y- difunctionalized-2-azabicyclo[2.1.1]h

Photocatalyst-controlled and visible light-enabled selective oxidation of pyridinium salts

This study proposes two different methods of photocatalytic-controlled and visible light-induced selective oxidation of pyridiniums with air as the terminal oxidant. The key to these transformations is to choose the appropriate light source and photocatal

Discovery of TAK-981, a First-in-Class Inhibitor of SUMO-Activating Enzyme for the Treatment of Cancer

SUMOylation is a reversible post-translational modification that regulates protein function through covalent attachment of small ubiquitin-like modifier (SUMO) proteins. The process of SUMOylating proteins involves an enzymatic cascade, the first step of which entails the activation of a SUMO protein through an ATP-dependent process catalyzed by SUMO-activating enzyme (SAE). Here, we describe the identification of TAK-981, a mechanism-based inhibitor of SAE which forms a SUMO-TAK-981 adduct as the inhibitory species within the enzyme catalytic site. Optimization of selectivity against related enzymes as well as enhancement of mean residence time of the adduct were critical to the identification of compounds with potent cellular pathway inhibition and ultimately a prolonged pharmacodynamic effect and efficacy in preclinical tumor models, culminating in the identification of the clinical molecule TAK-981.

Discovery and optimisation studies of antimalarial phenotypic hits

There is an urgent need for the development of new antimalarial compounds. As a result of a phenotypic screen, several compounds with potent activity against the parasite Plasmodium falciparum were identified. Characterization of these compounds is discussed, along with approaches to optimise the physicochemical properties. The in vitro antimalarial activity of these compounds against P. falciparum K1 had EC50 values in the range of 0.09e29 mM, and generally good selectivity (typically >100-fold) compared to a mammalian cell line (L6). One example showed no significant activity against a rodent model of malaria, and more work is needed to optimise these compounds.

Modulating reactivity and diverting selectivity in palladium-catalyzed heteroaromatic direct arylation through the use of a chloride activating/blocking group

(Chemical Equation Presented) Through the introduction of an aryl chloride substituent, the selectivity of palladium-catalyzed direct arylation may be diverted to provide alternative regioisomeric products in high yields. In cases where low reactivity is typically observed, the presence of the carbon-chlorine bond can serve to enhance reactivity and provide superior outcomes. From a strategic perspective, the C-Cl bond is easily introduced and can be employed in a variety of subsequent transformations to provide a wealth of highly functionalized heterocycles with minimal substrate preactivation. The impact of the C-Cl functional group on direct arylation reactivity has also been evaluated mechanistically, and the observed reactivity profiles correlate very well with that predicted by a concerted metalation-deprotonation pathway.

3-formylpyrroles from 3-furfurylamines by bromine oxidation reaction

Oxidation of 3-furfurylamines 3a-e with bromine in acetone-water solution gave N-substituted 3-formylpyrroles 4a-e in good yields. A reaction mechanism via the Clauson-Kaas reaction followed by the cis-trans isomerization of the 2-ene-1,4-diones 13 and 14

NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND

Disclosed is an antimalarial agent containing a compound represented by the formula: [wherein A1 represents a 3-pyridyl group that may have a substituent, a 6-quinolyl group that may have a substituent, or the like; X1 represents a group represented by the formula -C(=O)-NH- or the like; E represents a furyl group, a thienyl group or a phenyl group; with the proviso that A1 may have one to three substituents, and E has one of two substituents] or a salt thereof or hydrates thereof.

NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND

The present invention provides an antifungal agent represented by the formula: [wherein A1 represents a 3-pyridyl group which may have a substituent, a quinolyl group which may have a substituent, or the like; X1 represents a group represented by the formula -NH-C(=O)-, a group represented by the formula -C(=O)-NH-, or the like; E represents a furyl group, a thienyl group, a pyrrolyl group, a phenyl group, a pyridyl group, a tetrazolyl group, a thiazolyl group or a pyrazolyl group; with the proviso that A1 may have 1 to 3 substituents, and E has one or two substituents].

Asymmetric biocatalytic hydrocyanation of pyrrole carboxaldehydes

The asymmetric hydrocyanation of pyrrole-2- and -3-carboxaldehydes substituted with either methyl, benzyl or phenyl in the 1-position catalyzed by the hydroxynitrile lyases from Hevea brasiliensis (HbHNL) and Prunus amygdalus (PaHNL) is reported. The products could be isolated - after O-silylation - with moderate to good enantiomeric purity although the carbonyl activity of the substrates was found to be very low, which is supported by quantum-chemical calculations. Structural effects concerning substrate size and regiochemistry are discussed considering docking calculations based on the X-ray crystal structures of the two enzymes. From these calculations one particular amino acid residue (Trp-128) in the active site of HbHNL could be identified, which plays a major role for the appropriate binding of structurally demanding carbonyl compounds.

Aromatic heterocycle compounds having HIV integrase inhibiting activities

A compound of the formula (I): wherein X is hydroxy, protected hydroxy or optionally substituted amino; Y is —COORAwherein RAis hydrogen or ester residue, —CONRBRCwherein RBand RCeach is independently hydrogen or amide residue, optionally substituted aryl or optionally substituted heteroaryl; and A1is optionally substituted heteroaryl; provided that a compound wherein Y and/or A1is optionally substituted indol-3-yl is excluded, a tautomer, a prodrug, a pharmaceutically acceptable salt or a hydrate thereof has an inhibitory activity against an integrase.