Category: 39987-25-2

Mori, Daisuke; Kimura, Hiroyuki; Kawashima, Hidekazu; Yagi, Yusuke; Arimitsu, Kenji; Ono, Masahiro; Saji, Hideo published the artcile< Development of 99mTc radiolabeled A85380 derivatives targeting cerebral nicotinic acetylcholine receptor: Novel radiopharmaceutical ligand 99mTc-A-YN-IDA-C4>, Reference of 39987-25-2, the main research area is technetium 99m A85380 derivative preparation cerebral nicotinic receptor; A85380 derivatives; Docking simulation; Nicotinic acetylcholine receptors; Single-photon emission computed tomography; Technetium-99m.

Nicotinic acetylcholine receptors (nAChRs) are pentameric ligand-gated ion channels that have been implicated in higher brain functions. To elucidate the functional mechanisms underlying nAChRs and contribute significantly to development of drugs targeting neurol. and neuropsychiatric diseases, non-invasive nuclear medical imaging can be used for evaluation. In addition, technetium-99m (99mTc) is a versatile radionuclide used clin. as a tracer in single-photon emission computed tomog. Because A85380 is known as a potent α4β2-nAChR agonist, we prepared A85380 derivatives labeled with 99mTc using a bifunctional chelate system. A computational scientific approach was used to design the probe efficiently. We used non-radioactive rhenium (Re) for a 99mTc analog and found that one of the derivatives, Re-A-YN-IDA-C4, exhibited high binding affinity at α4β2-nAChR in both the docking simulation (-19.3 kcal/mol) and binding assay (Ki = 0.4 ± 0.04 nM). Further, 99mTc-A-YN-IDA-C4 was synthesized using microwaves, and its properties were examined Consequently, we found that 99mTc-A-YN-IDA-C4, with a structure optimized by using computational chem. techniques, maintained affinity and selectivity for nAChR in vitro and possessed efficient characteristics as a nuclear medicine mol. imaging probe, demonstrated usefulness of computational scientific approach for mol. improvement strategy.

Bioorganic & Medicinal Chemistry published new progress about Brain. 39987-25-2 belongs to class esters-buliding-blocks, and the molecular formula is C6H12ClNO4, Reference of 39987-25-2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Hoelzel, Conner A.; Hu, Hang; Wolstenholme, Charles H.; Karim, Basel A.; Munson, Kyle T.; Jung, Kwan Ho; Zhang, Han; Liu, Yu; Yennawar, Hemant P.; Asbury, John B.; Li, Xiaosong; Zhang, Xin published the artcile< A General Strategy to Enhance Donor-Acceptor Molecules Using Solvent-Excluding Substituents>, Safety of Dimethyl 2,2′-azanediyldiacetate hydrochloride, the main research area is triazole donor acceptor mol substituent; amines; charge transfer; donor-acceptor systems; fluorescence; solvent effects.

While organic donor-acceptor (D-A) mols. are widely employed in multiple areas, the application of more D-A mols. could be limited because of an inherent polarity sensitivity that inhibits photochem. processes. Presented here is a facile chem. modification to attenuate solvent-dependent mechanisms of excited-state quenching through addition of a β-carbonyl-based polar substituent. The results reveal a mechanism wherein the β-carbonyl substituent creates a structural buffer between the donor and the surrounding solvent. Through computational and exptl. analyses, it is demonstrated that the β-carbonyl simultaneously attenuates two distinct solvent-dependent quenching mechanisms. Using the β-carbonyl substituent, improvements in the photophys. properties of commonly used D-A fluorophores and their enhanced performance in biol. imaging are shown.

Angewandte Chemie, International Edition published new progress about Absorption. 39987-25-2 belongs to class esters-buliding-blocks, and the molecular formula is C6H12ClNO4, Safety of Dimethyl 2,2′-azanediyldiacetate hydrochloride.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics