Gene/Protein Disease Symptom Drug Enzyme Compound
Pivot Concepts:   Target Concepts:
Query: EC:3.4.16.2 (PCP)
 3,761 document(s) hit in 31,850,051 MEDLINE articles (0.00 seconds)

Beagle dogs were given access to response-contingent i.v. infusions of phenycyclidine (PCP) and eight related compound. The infusions of phencyclidine (PCP) and eight related compounds. The infusions were available during short (1- or 4-hr) daily sessions when each pedal-press produced a drug or vehicle infusion. All nine compounds maintained consistent, dose-related pedal-pressing at rates considerably above those maintained by their respective vehicles. For each compound there was an inverted, U-shaped relationship between dose (microgram per kilogram per infusion) and number of infusions self-administered per session. By comparing the descending portions of the dose-response curves obtained with each compound, estimates of their relative potencies to maintain equal rates of drug-taking behavior were calculated. The thiophene analog was the most potent compound, followed in order by PCP, the N-ethyl, pyrrolidino, 4-methyl and N-propyl analogs, the two monohydroxylated metabolites and ketamine. The rank-order of these potency estimates is similar to those obtained with a variety of other animal paradigms used to assess the effects of PCP and its analogs. All nine compounds produced varying degrees of ataxia, vocalizations and salivation in the dogs. The results suggest that several compounds related to PCP may have an abuse potential like that of PCP.
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PMID:Intravenous self-administration of phencyclidine and related compounds in the dog. 708 78

A combined theoretical and experimental study of the structure, optical, and photophysical properties of four 2,7-carbazolenevinylene-based derivatives in solution is presented. Geometry optimizations of the ground states of PCP, PCP-CN, TCT, and TCT-CN were carried out using the density functional theory (DFT/B3LYP/6-31G*). It is found that PCP and TCT are nearly planar in their ground electronic states (S0), whereas the cyano derivatives are more twisted. The nature and the energy of the first singlet-singlet electronic transitions have been obtained from time-dependent density functional theory (TDDFT) calculations performed on the optimized geometries. For all the compounds, excitation to the S1 state corresponds mainly to the promotion of one electron from the highest-occupied molecular orbital to the lowest-unoccupied molecular orbital, and the S1 <-- S0 electronic transition is strongly allowed and polarized along the long axis of the molecular frame. The optimization (relaxation) of the first singlet excited electronic state (S1) has been done using the restricted configuration interaction (singles) (RCIS/6-31G*) approach. It is observed that all four investigated compounds become more planar in their S1 relaxed excited state. Electronic transition energies from the relaxed excited states have been obtained from TDDFT calculations performed on the S1-optimized geometries. The absorption and fluorescence spectra of the carbazolenevinylenes have been recorded in chloroform. A good agreement is obtained between TDDFT vertical transitions energies and the (0,0) absorption and fluorescence bands. The change from phenylene to thiophene rings as well as the incorporation of cyano substituents induce bathochromic shifts in the absorption and fluorescence spectra. From the analysis of the energy of the frontier molecular orbitals, it is believed that thiophene rings and CN substituents induce some charge-transfer character to the first electronic transition, which is responsible for the red shifts observed. Finally, the fluorescence quantum yield and the lifetime of the compounds in chloroform have been obtained. In sharp contrast with many oligothiophenes, it is observed that TCT possesses a high fluorescence quantum yield. On the other hand, the CN-containing derivatives exhibit much lower fluorescence quantum yields, probably due to the combined influence of steric effects and charge-transfer interactions caused by the cyano groups.
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PMID:A theoretical, spectroscopic, and photophysical study of 2,7-carbazolenevinylene-based conjugated derivatives. 1683 54

Iridaepoxide dihydride complexes of a PCP ligand bearing benzo[b]thiophene linkers are synthesized through ligand coopertive N2O and H2 activations. These neutral complexes also eliminate water at elevated temperatures to form the corresponding PCcarbeneP complexes which results in the formal hydrogenation of N2O to water. The synthesis of cationic iridaepoxide dihydride complexes are reported herein where the room temperature elimination of water is observed when a donating solvent is used. This supports a previously proposed mechanism for this water elimination where hydrides cis to the epoxide are required. Ir(i) and Ir(iii) cationic PCcarbeneP complexes are also synthesized through protonation and through O-H oxidation additions of water and phenol.
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PMID:Cationic PCP iridaepoxide and carbene complexes for facile water elimination and activation processes. 2828 66