Gagan Kukreja’s Post

The structure and spectroscopic properties of 5 methyl 2 8 quinolinyl benzoxazole and its complexes with Zn(II ion were studied using a DFT and TD DFT methods with def2 TZVP basis set. It was shown that the type of functional used B3-LYP or pbe0 implemented in TURBOMOLE package does not have essential influence on the geometry small differences in bond length valence and dihedral angles of studied compounds in both ground and excited states Link :- https://lnkd.in/eGKdSRqm #CADD #MedChem #CompChem #DrugDiscovery #Pharma #Biotech #CRO #innovation #digitalmarketing #technology #education BIOVIA Zastra Innovations

A fantastic contribution to the synthesis of fully substituted hindered primary amines by #DanLehnherr's team at #Merck and #TomislavRovis's team at #ColumbiaUniversity! #Amines are crucial structural motifs in active pharmaceutical ingredients (#APIs) and their intermediates, as well as key components in ligand libraries for both biological and catalytic applications. You can explore the full publication here: https://lnkd.in/g7_4yySd Key Highlights: 1. Electrochemical Method: A novel electrochemical approach is described to access hindered primary and secondary amines, utilizing benchtop-stable iminium salts and a cyanoarene as starting materials. 2. Mechanistic Insight: This process involves proton-coupled electron transfer (PCET) followed by heteroradical−radical coupling, with subsequent re-aromatization leading to the final products. 3. Substrate Scope: At least one aryl group is required to stabilize the α-amino radicals in the imine; alkyl iminium salts are incompatible due to lack of radical stabilization. 4. Critical Parameters: The choice of cathode material and the supporting electrolyte are crucial for the success of this reaction. Key Merits: 1. A versatile and practical approach: This method accommodates a broad range of substituted heterocycles—including pyridine, pyrimidine, pyrazine, purine, and azaindole—bearing functional groups such as halides, trifluoromethyl, esters, amides, ethers, heterocycles, as well as unprotected alcohols and alkynes. #ProcessDevelopment #DrugDevelopment #DrugSubstances #CDMO #CRO #networking #Pharma #Biotech #CMC #SmallMolecules #Intermediates #API #manufacturing

The following study explores the unexpected competitive host-guest interactions of β-cyclodextrin with polymers in aqueous solution, specifically using poly(oligo(ethylene glycol) methyl ether methacrylate) (POEGMA) and poly(glycerol mono methacrylate) (PGMA) as examples. For a deeper insight, click on the link and read Eva Fenyvesi's blog post on Cyclodextrin News: https://lnkd.in/dU3QNKm7 #cyclolab #cyclodextrin #betacyclodextrin #solubility #host #guest #hostguestchemistry #polyacrylates #molecularphotoswitches #pharma #pharmaceutical #pharmaindustry #science #chemistry #research

https://lnkd.in/gn3ph8cw In their pursuit of the most efficient construction of PF-07265807 (ARRY-067) for process development prior to commercial manufacture, the team's route scouting efforts are meticulously chronicled. At the heart of ARRY-067 lies the azaindazole (1H-pyrazolo [3,4-b]pyridine) building block, a fundamental element shared by many pharmaceuticals and bioactive agents. Their narrative unfolds with a novel approach to this intricate structural motif. A symphony of chemical ingenuity, their method orchestrates an oxazoline ring-opening cyclization cascade, revealing the target 3-alaninol-substituted azaindazole in a single step, catalyzed by the addition of hydrazine. Additionally, an optimized synthesis of the uracil carboxylic acid coupling partner is presented, enhancing the elegance of their approach. Central to their achievement is the revelation of a route six steps shorter than the enabling route. This reduction is accompanied by minimized protecting group manipulations and the avoidance of transition metal catalysis. Through this innovative journey, they not only streamline the path to ARRY-067 but also push the boundaries of synthetic chemistry, marking a significant advancement in pharmaceutical synthesis.

The field of #oligonucleotide therapeutics has seen significant advancements, resulting in a growing demand for purified oligonucleotides. 📈   One established method for oligonucleotide production involves chemical synthesis followed by chromatographic #purification. For efficient upscaling, ion exchange #chromatography is preferred due to its high loading capacity, resolution, and yield. 💡 BianoGMP GmbH specializes in producing high-purity oligonucleotides in substantial quantities, catering to research and development as well as clinical programs. In our application note, we demonstrate a successful large-scale ion exchange chromatography purification of an oligo dT with 95% purity and 90% yield. 🔬   Find out more about large scale purification of oligonucleotides with ion exchange chromatography in our application note. 👇   #thinklc #thinkknauer #application #practice Ulrike Krop Tobias Pöhlmann

Discover the ion exchange #chromatography for large scale #purification of #oligonucleotides by KNAUER. Benefit from high loading capacity, resolution, and yield. 💡 In the application note with BianoGMP GmbH, KNAUER demonstrates a successful large-scale ion exchange chromatography purification of an oligo dT with 95% purity and 90% yield. 👇 #thinklc #thinkknauer Ulrike Krop Tobias Pöhlmann

My review on "Recent Advances in Fluoroalkylation Strategies: Exploring Novel Reactivities and Synthetic Applications of Sulfone-and Sulfinate-Based Reagents for Mono-, Di-, and Trifluoromethylation" has just been published in SYNTHESIS Journal Thieme If you're curious about the latest breakthroughs in fluoroalkylation strategies and how sulfone and sulfinate reagents are being utilized to introduce valuable fluorinated motifs like -CH2F, CF2H, and -CF3, this review might be of interest for you! These methodologies summarized in this review article are crucial for altering and fine-tune molecular properties, which is of immense importance for drug discovery purposes. This review provides a comprehensive summary of the current state-of-the-art research and hopefully inspires future advancements in these areas. 🔗 https://lnkd.in/eNj2cKa7 #OrganicChemistry #FluorineChemistry #Synthesis #Pharmaceuticals #Agrochemicals #Fluoroalkylation #DrugDiscovery

Chemistry plays a major role in developing a manufacturable Antibody-drug conjugate (ADC). From the design and optimization of synthetic routes to developing novel linker-payloads, these challenging steps require extensive expertise in order to deliver a scalable and high-quality ADC.   Our latest info sheet, "Complex Chemistry for Antibody-Drug Conjugates and Beyond," explores how Abzena’s advanced chemistry solutions drive the rapid development of highly potent compounds and bioconjugates. Our expertise across small molecules, peptides, and oligos coupled with our integrated approach, enables us to provide innovative strategies that confidently advance ADC programs from discovery through clinical and commercial stages.   Read the full info sheet to discover how our specialized chemistry capabilities can streamline your ADC's development journey: https://lnkd.in/eNR9hn72   #ADCDevelopment #ComplexChemistry #DrugDevelopment #Bioconjugation #CDMO #CRO

🚨 Exciting Research Update! 🚨 I am thrilled to share our latest publication titled: "Piperine Solubility Enhancement via DES Formation: Elucidation of Intermolecular Interactions and Impact of Counterpart Structure via Computational and Spectroscopic Approaches." This work highlights our innovative approach for enhancing the solubility of piperine through the formation of deep eutectic solvents (DESs). We explored the crucial role of intermolecular interactions and how the structural properties of counterpart molecules influence solubility. Utilizing both computational and spectroscopic techniques, we uncovered key insights that pave the way for developing more effective pharmaceutical formulations. 🌟 I invite you to read our work through this link: https://lnkd.in/djBuksTX Looking forward to hearing your thoughts and feedback. #PharmaceuticalResearch #SolubilityEnhancement #DeepEutecticSolvents #Piperine #DrugDevelopment #ScientificInnovation

🎉 NATA Publication Announcement! We are excited to announce the publication of our first original research article, titled "Thiol-Specific Linkers for the Synthesis of Oligonucleotide Conjugates via Metal-Free Thiol–Ene Click Reaction," authored by Anna Malinowska, Harley Huynh, Andrés F. Correa-Sánchez, and Sritama Bose, PhD, in Bioconjugate Chemistry, published by the American Chemical Society. The article introduces novel linkers that can be easily incorporated into oligonucleotides and conjugated with thiol-containing molecules. This method offers sustainability, versatility, and efficiency, with significant potential for both therapeutic and diagnostic applications. Read the full article here: https://lnkd.in/eJM5Rbsr 🚀 Stay tuned for more exciting updates from NATA as we continue to advance research in nucleic acid therapies! #Science #Research #Chemistry #Biology #Oligonucleotides #Pharma #Pharmaceutical #Therapeutics #DrugDiscovery #Biotech #Biotechnology #AdvancedTherapies #Healthcare #Impact #Innovation #Biochem #HealthcareInnovation