Structure of Human Phosphodiesterase 5A1 Complexed with Avanafil Reveals Molecular Basis of Isoform Selectivity and Guidelines for Targeting a-Helix Backbone Oxygen by Halogen Bonding

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Journal of Medicinal Chemistry

Journal of Medicinal Chemistry: Latest Articles (ACS Publications)
Authors: Chao-Ming Hsieh†, Chun-Yi Chen‡, Ji-Wang Chern§?, and Nei-Li Chan*†?
feedproxy.google.com/~r/acs/jmcmar/~3/59BCme_fGUo/acs.jmedchem.0c00853

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A Virtual Plant for Integrated Continuous Manufacturing of a Carfilzomib Drug Substance Intermediate, Part 1: CDI-Promoted Amide Bond Formation

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Organic Process Research & Development

Organic Process Research & Development: Latest Articles (ACS Publications)

Authors: Elc¸in Ic¸ten*†, Andrew J. Maloney‡, Matthew G. Beaver†, Dongying Erin Shen†, Xiaoxiang Zhu†, Lauren R. Graham†, Jo Anna Robinson†, Seth Huggins§, Ayman Allian§, Roger Hart†, Shawn D. Walker†, Pablo Rolandi†, and Richard D. Braatz‡
feedproxy.google.com/~r/acs/oprdfk/~3/_HY6h2vw41Q/acs.oprd.0c00187

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Construction of a Highly Diastereoselective Aldol Reaction System with l-Threonine Aldolase by Computer-Assisted Rational Molecular Modification and Medium Engineering

Organic Letters: Latest Articles (ACS Publications)
Authors: Wenlong Zheng†, Kaitong Chen†, Zhe Wang‡, Xiuli Cheng‡, Gang Xu*†, Lirong Yang†§, and Jianping Wu*†§
feedproxy.google.com/~r/acs/orlef7/~3/pe2Rt60Qp7k/acs.orglett.0c01792

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Intrinsically Active Surface in a Pt/?-Mo2N Catalyst for the Water–Gas Shift Reaction: Molybdenum Nitride or Molybdenum Oxide?

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Journal of the American Chemical Society

Journal of the American Chemical Society: Latest Articles (ACS Publications)
Authors: Zhe-Shan Zhang†#, Qiang Fu†#, Kai Xu†, Wei-Wei Wang†, Xin-Pu Fu†, Xu-Sheng Zheng?, Ke Wu?, Chao Ma*§, Rui Si*‡, Chun-Jiang Jia*†, Ling-Dong Sun?, and Chun-Hua Yan?
feedproxy.google.com/~r/acs/jacsat/~3/yzxKw2mRt_4/jacs.9b11088

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Molecularly Engineered “Janus GroEL”: Application to Supramolecular Copolymerization with a Higher Level of Sequence Control

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Journal of the American Chemical Society

Journal of the American Chemical Society: Latest Articles (ACS Publications)
Authors: Daiki Kashiwagi†#, Hao K. Shen†#, Seunghyun Sim‡, Koki Sano?, Yasuhiro Ishida?, Ayumi Kimura§, Tatsuya Niwa?, Hideki Taguchi?, and Takuzo Aida*†?
feedproxy.google.com/~r/acs/jacsat/~3/rT94T3x97hQ/jacs.0c05937

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Biosynthesis of Cittilins, Unusual Ribosomally Synthesized and Post-translationally Modified Peptides from Myxococcus xanthus

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ACS Chemical Biology

ACS Chemical Biology: Latest Articles (ACS Publications)
Authors: Joachim J. Hug†§?, Jan Dastbaz†§?, Sebastian Adam‡, Ole Revermann†§, Jesko Koehnke‡, Daniel Krug†§, and Rolf Mu¨ller*†§
feedproxy.google.com/~r/acs/acbcct/~3/PucbDNaZaGI/acschembio.0c00430

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Remodelin Is a Cryptic Assay Interference Chemotype That Does Not Inhibit NAT10-Dependent Cytidine Acetylation

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ACS Medicinal Chemistry Letters

ACS Medicinal Chemistry Letters: Latest Articles (ACS Publications)
Authors: Jonathan H. Shrimp†, Yihang Jing†, Supuni Thalalla Gamage†, Kathryn M. Nelson‡, Joseph Han§, Keri M. Bryson†, David C. Montgomery†, Justin M. Thomas†, Kellie D. Nance†, Sunny Sharma?, Stephen D. Fox?, Thorkell Andressen?, Wilson R. Sinclair†, Hong Wu#, Abdellah Allali-Hassani#, Guillermo Senisterra#, Masoud Vedadi#, Denis Lafontaine?, Jayme L. Dahlin?, Ronen Marmorstein§?, Michael A. Walters‡, and Jordan L. Meier*†
feedproxy.google.com/~r/acs/amclct/~3/ElsRtPeKtig/acsmedchemlett.0c00193

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Structure–Activity Relationship Studies of Retro-1 Analogues against Shiga Toxin

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Journal of Medicinal Chemistry

Journal of Medicinal Chemistry: Latest Articles (ACS Publications)
Authors: Hajer Abdelkafi†, Aure´lien Michau‡, Vale´rie Pons†, Flora Ngadjeua‡, Alexandra Clerget‡, Lilia Ait Ouarab†, David-Alexandre Buisson†, David Montoir†, Lucie Caramelle‡, Daniel Gillet*‡, Julien Barbier‡, and Jean-Christophe Cintrat*†
feedproxy.google.com/~r/acs/jmcmar/~3/QpEkoeDiTFk/acs.jmedchem.0c00298

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Diprotonated Parabanic Acid: A Vicinal or 1,3‐Dication?

Diprotonated Parabanic Acid: A Vicinal or 1,3‐Dication?

The syntheses of mono‐ and diprotonated species of parabanic acid succeeded in the superacidic media HF/M F5 (M = As, Sb). Parabanic acid has five potential basic centers, but the protonations occur exclusively at the neighboring CO groups.

Reacting parabanic acid with the superacidic systems X F/M F5 (X = H, D; M = As, Sb) in different ratios, led to the formation of the mono‐ and diprotonated species. Salts in terms of [C3H3N2O3][AsF6], [C3H3N2O3][SbF6], [C3H4N2O3][AsF6]2, [C3H4N2O3][SbF6]2, [C3D3N2O3][AsF6] and [C3D4N2O3][AsF6]2 were obtained and characterized by low‐temperature infrared and Raman spectroscopy. Single‐crystal X‐ray structure analyses were performed for [C3H3N2O3][SbF6] and [C3H4N2O3][AsF6]2· 4HF. Additionally, quantum chemical calculations were carried out on the B3LYP/aug‐cc‐pVTZ level of theory for the mono‐ and dication. Mapped Electrostatic Potentials together with Natural Population Analysis charges were calculated in order to localize the two positive charges of the diprotonated parabanic acid. The diprotonated parabanic acid can be described as an 1,2‐C,C‐dication, stabilized by electron delocalization over the five‐membered ring.

Wiley: European Journal of Organic Chemistry: Table of Contents
Authors: Stefanie Beck, Milica Raljic, Christoph Jessen, Andreas J. Kornath
doi.org/10.1002/ejoc.202000656

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Biocompatible Catalysts for Lactide Polymerization—Catalyst Activity, Racemization Effect, and Optimization of the Polymerization Based On Design of Experiments

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Organic Process Research & Development

Organic Process Research & Development: Latest Articles (ACS Publications)

Authors: Agnieszka Gadomska-Gajadhur and Pawel Rus´kowski*
feedproxy.google.com/~r/acs/oprdfk/~3/bk4N_mUEJKw/acs.oprd.0c00149

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cis-Dihydroxylated a-Trifluoromethylated N,O-Acetal from l-Tartaric Acid: Synthesis of Tetrasubstituted Stereocenter via Diastereoselective Pictet-Spengler Cyclization of N-Acyliminium Ions

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The Journal of Organic Chemistry

The Journal of Organic Chemistry: Latest Articles (ACS Publications)
Authors: Abdelkhalek Ben Jamaa, Mohammed Latrache, Emmanuel Riguet, and Fabienne Grellepois*
feedproxy.google.com/~r/acs/joceah/~3/7E00JvdHPqU/acs.joc.0c00801

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Complementary Site‐Selective Halogenation of Nitrogen‐Containing (Hetero)Aromatics with Superacids

Complementary Site‐Selective Halogenation of Nitrogen‐Containing (Hetero)Aromatics with Superacids

In place : Complementary site‐selective halogenation of nitrogen containing arenes has been developed in superacid HF/SbF5 in the presence of halide salts. By protecting the molecules by protonation, this method can also be applied to the late‐stage selective halogenation of natural alkaloids and active pharmaceutical ingredients.

Abstract

Site‐selective functionalization of arenes that is complementary to classical aromatic substitution reactions remains a long‐standing quest in organic synthesis. Exploiting the generation of halenium ion through oxidative process and the protonation of the nitrogen containing function in HF/SbF5, the chlorination and iodination of classically inert Csp2−H bonds of aromatic amines occurs. Furthermore, the superacid‐promoted (poly)protonation of the molecules acts as a protection, favoring the late‐stage selective halogenation of natural alkaloids and active pharmaceutical ingredients

Wiley: Chemistry – A European Journal: Table of Contents
Authors: Alexander Mamontov, Agnès Martin‐Mingot, Benoit Métayer, Omar Karam, Fabien Zunino, Fodil Bouazza, Sébastien Thibaudeau
chemistry-europe.onlinelibrary.wiley.com/doi/abs/10.1002/chem.202000902

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