Sergio Castillón
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Mechanistic Insights into the Regioselective (3 + 2) Cycloaddition of Unsymmetrical Cyclopropenones with Elemental Sulfur: Experimental and Computational Studies Open
This study investigates the (3 + 2) cycloaddition of substituted cyclopropenones with elemental sulfur. Combined experimental and computational results highlight the involvement of reactive sulfur species, such as those generated from KF o…
Palladium‐Catalyzed Telomerization of Isoprene with Amines: Ligands and Solvents Working Together to Improve the Selectivity Open
Controlling the selectivity in palladium‐catalyzed telomerization of nonsymmetric dienes represents a challenge as several isomers can be obtained, although the four resulting from the attack of the nucleophile at the terminal carbon atom …
View article: Syntheses of differentially fluorinated triazole-based 1-deoxysphingosine analogues <i>en route</i> to SphK inhibitors
Syntheses of differentially fluorinated triazole-based 1-deoxysphingosine analogues <i>en route</i> to SphK inhibitors Open
Stereoselective syntheses of 16 triazole-based 1-deoxysphingosine dual SphK inhibitors incorporating different systematic modifications highlight heptafluoropropyl and guanidinium motifs towards improving SphK2 inhibition.
View article: Tetrafluoroethylation of Electron‐Rich Alkenyl Iodides Enabled by <i>in situ</i> Generation of Solvent‐Stabilized “Ligandless” CuCF<sub>2</sub>CF<sub>2</sub>H
Tetrafluoroethylation of Electron‐Rich Alkenyl Iodides Enabled by <i>in situ</i> Generation of Solvent‐Stabilized “Ligandless” CuCF<sub>2</sub>CF<sub>2</sub>H Open
In this study, we have developed a metal‐mediated synthetic method for incorporating the 1,1,2,2‐tetrafluoroethyl (CF 2 CF 2 H) motif into unactivated, electron‐rich alkenyl iodides using cross‐coupling reactions. We discovered that the st…
Cover Picture: Bench‐Stable Electrophilic Reagents for the Direct Di‐ and Trifluoroethylthiolation of Indoles (Adv. Synth. Catal. 20/2023) Open
This inside cover picture illustrates how the developed saccharin-based electrophilic reagents can incorporate SCH2CF3 and SCH2CF2H motifs into electronically rich substrates such as indole or pyrrole under mild and direct conditions. Thes…
CCDC 2128832: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
CCDC 2128831: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
Bringing Selectivity in H/D Exchange Reactions Catalyzed by Metal Nanoparticles through Modulation of the Metal and the Ligand Shell Open
Ru and Rh nanoparticles catalyze the selective H/D exchange in phosphines using D2 as the deuterium source. The position of the deuterium incorporation is determined by the structure of the P-based substrates, while activity depends on the…
New Co and Mn Catalysts Bearing ONO Ligands Containing Nucleophile for the Coupling of CO2 and Propylene Oxide Open
A series of novel ONO ligands bearing an ionic pendant-armed (hereinafter indicated as ONONu, where Nu corresponds to an anionic nucleophile) were synthesized, characterized, and successfully coordinated to cobalt and manganese precursors.…
Trifluoromethyl-Directed 1,2-Trans Glycosylation Open
Fluorinated carbohydrate mimetics are valuable molecular fragments in contemporary Glycoscience. Available synthetic protocols are mainly restricted to the preparation of ‘standard’ monofluorinated derivatives, whereas their more complex C…
CCDC 2099950: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
CCDC 2099951: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
CCDC 2099948: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
CCDC 2099949: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
Electrophilic Reagents for the Direct Incorporation of Uncommon SCF <sub>2</sub> CF <sub>2</sub> H and SCF <sub>2</sub> CF <sub>3</sub> Motifs Open
The introduction of fluoroalkylthioether groups has attracted the attention of the drug-discovery community given the special physicochemical and pharmacokinetic features they confer to bioactive compounds, yet these are often limited to s…
Probing Site‐Selective Conjugation Chemistries for the Construction of Homogeneous Synthetic Glycodendriproteins Open
Methods that site‐selectively attach multivalent carbohydrate moieties to proteins can be used to generate homogeneous glycodendriproteins as synthetic functional mimics of glycoproteins. Here, we study aspects of the scope and limitations…
Revealing 2-dimethylhydrazino-2-alkyl alkynyl sphingosine derivatives as sphingosine kinase 2 inhibitors: Some hints on the structural basis for selective inhibition Open
Sphingosine kinase (SphK), which catalyzes the transfer of phosphate from ATP to sphingosine (Sph) generating sphingosine-1-phosphate (S1P) has emerged as therapeutic target since the discovery of connections of S1P with cancer progress. S…
Shelf-stable electrophilic reagents for the direct incorporation of SCF2CF2H and SCF2CF3 motifs Open
The introduction of fluoroalkylthioether groups has attracted the attention of the drug discovery community given the special physicochemical and pharmacokinetic features they confer to bioactive compounds. Synthetic advances in the field …
CCDC 1913852: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
CCDC 1913854: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
CCDC 1913853: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
CCDC 2017708: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
CCDC 2017703: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
CCDC 2017704: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
CCDC 2017720: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
Syntheses of Hydrazino-and Azo-Sphingosine Derivatives and Their Evaluation as SphK Inhibitors Open
Bioactive sphingolipids have been recognized to play important roles in both normal and pathological physiology related to the regulations of cell proliferation, differentiation, survival, trafficking, and cell death. [...]
Synthesis of Polyfluorinated KRN7000 Analogues and Biological Implications Open
KRN7000 is a synthetic glycosphingolipid developed as an anticancer drug candidate, whichupon association with the CD1d protein activates NKT cells. [...]
Structure-Based Design of Potent Tumor-Associated Antigens: Modulation of Peptide Presentation by Single-Atom O/S or O/Se Substitutions at the Glycosidic Linkage Open
GalNAc-glycopeptides derived from mucin MUC1 are an important class of tumor-associated antigens. α- O-glycosylation forces the peptide to adopt an extended conformation in solution, which is far from the structure observed in complexes wi…
CCDC 1533215: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …