𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Conformational analysis of 2,3,6,7-tetrahydroazepines with implications for D1-selective benzazepines

✍ Scribed by Ibon Alkorta; Hugo O. Villar; Raul E. Cachau

Publisher
John Wiley and Sons
Year
1993
Tongue
English
Weight
649 KB
Volume
14
Category
Article
ISSN
0192-8651

No coin nor oath required. For personal study only.

✦ Synopsis

A cbnformational study of the 2,3,6,7-tetrahydroazepine (THA) and closely related systems has been carried out using MM3 and CHARMm molecular mechanics, AM1 semiempirical, as well as Hartree-Fock and local density functional (LDF) ab initio methods. For THA, all methods give similar optimal geometries; however, only MM3 agrees with the Hartree-Fock calculations using a 6-31G* basis set and LDF in the rank order of energies and nature of the stationary points characterized. AM1 shows serious disagreements with those results. Tetrahydrobenzazepines and a D1 receptor agonist containing the THA nucleus were studied using CHARMm, MM3, and AM1 calculations. All methods provide similar descriptions of the geometries of the conformations accessible to these compounds. However, the same disparities in the rank order of energies are observed. Q 1993 by John Wiley & Sons, Inc.

📜 SIMILAR VOLUMES

The crystal structure and conformational
The crystal structure and conformational analysis of substituted 2,7-dioxabicyclo[4,1,0[heptanes: 1,2-anhydro-3,4,6-tri-O-benzyl-β-d-talopyranose
✍ Genpei Li; Lihong Jiang; Fanzuo Kong; Jianhui Liu 📂 Article 📅 1993 🏛 Elsevier Science 🌐 English ⚖ 437 KB

The title compound, C28H27O5, is triclinic, space group P1 with unit cell dimensions a = 12.763(2), b = 11.130(2), c = 4.764(3) A, alpha = 73.78(3), beta = 82.89(3), gamma = 62.16(1) degrees, V = 574.8(4) A3, and Z = 1. The pyranose ring has an 4H5 conformation with some flattening at C-4. Molecular

Radiosynthesis of (±)-1-(2-bromo-4,5-dim
Radiosynthesis of (±)-1-(2-bromo-4,5-dimethoxybenzyl)-7-hydroxy-6-methoxy-2-[11C]-methyI-l,2,3,4-tetrahydro-isoquinoline, [11C]A-69024: A non-benzazepine antagonist for studying dopamine D1 receptors In vivo using PET
✍ Michael Kassiou; William B. Mathews; John L. Musachio; Hayden T. Ravert; Richard 📂 Article 📅 1994 🏛 John Wiley and Sons 🌐 French ⚖ 357 KB 👁 1 views

## Abstract (±)‐1‐(2‐bromo‐4,5‐dimethoxybenzyl)‐7‐hydroxy‐6‐methoxy‐2‐[^11^C]‐methyl‐1,2,3,4‐tetrahydroisoquinoline, (HCJA‐69024, a selective ligand for the D1 receptor was prepared by __N__‐alkylation of (±)__N__‐desmethyl A‐69024 with [^11^C]methyl iodide in DMF. The radiotracer was purified by s

Nucleic Acid Analogs with Constraint Con
Nucleic Acid Analogs with Constraint Conformational Flexibility in the Sugar-Phosphate Backbone “Tricyclo-DNA”. Part 1. Preparation of [(5′R,6′R)-2′-deoxy-3′,5′-ethano-5′,6′-methano-β-D-ribofuranosyl]thymine and -adenine, and the corresponding phosphoramidites for oligonucleotide synthesis
✍ Ralph Steffans; Christian Leumann 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 German ⚖ 1019 KB

In extension of the bicyclo-DNA nomenclature (see , Foornote 3), the name tricyclo-DNA and, correspondingly, tricyclo-deoxynucleosides was chosen to denominate this type of nucleotide and nucleoside analog. ## The numbering scheme as depicted in Fig. f for nucleosides was chosen in order to be ab

ChemInform Abstract: Nucleic-Acid Analog
ChemInform Abstract: Nucleic-Acid Analogues with Constraint Conformational Flexibility in the Sugar—Phosphate Backbone ′Tricyclo-DNA′. Part 1. Preparation of [(5′R,6′R)-2′-Deoxy-3′,5′-ethano-5′,6′-methano-β-D-ribofuranosyl] thymine and -adenine, and the Corresponding Phosphoramidites for Oligonucleotide Synthesis.
✍ R. STEFFENS; C. LEUMANN 📂 Article 📅 2010 🏛 John Wiley and Sons ⚖ 39 KB 👁 1 views

Nucleic-Acid Analogues with Constraint Conformational Flexibility in the Sugar-Phosphate Backbone 'Tricyclo-DNA'. Part 1. Preparation of [(5'R,6'R)-2'-Deoxy-3',5'-ethano-5',6'-methano-β-D-ribofuranosyl] thymine and -adenine, and the Corresponding Phosphoramidites for Oligonucleotide Synthesis. -An

ChemInform Abstract: Preparation of an A
ChemInform Abstract: Preparation of an Artificial Ribonucleoside with Pyrimido[4,5-d]pyrimidine-2,4,5,7-(1H,3H,6H,8H)-tetraone as a Base and Its Discriminating Ability for Natural Nucleosides.
✍ Taisuke Hirano; Kenji Kuroda; Hidehiko Kodama; Masanori Kataoka; Yoshihiro Hayak 📂 Article 📅 2008 🏛 John Wiley and Sons ⚖ 38 KB 👁 1 views

## Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable v