The graphics program presented, ARCHEM, draws the molecular electrostatic potential (MEP) on a mo... more The graphics program presented, ARCHEM, draws the molecular electrostatic potential (MEP) on a molecular surface color-coded according to the magnitude of the potential. Vectors can be drawn on the surface to show the electric field surrounding the molecule and color-coded according to the magnitude of the field. The electrostatic potential (ESP) calculated from the wave function or from net atomic charges using GAUSSIAN 80 UCSF1.2 can be plotted at points on a shell surrounding the molecule. For the neurotransmitter glycine zwitterion, the MEP is calculated from the wave function and from different point charge models, and the results are represented graphically.
An experimental and theoretical study of the enantioselective deprotonation of cyclohexene oxide ... more An experimental and theoretical study of the enantioselective deprotonation of cyclohexene oxide with isopinocampheyl-based chiral lithium amides
AlBr3 oder Sogenannte "slugged catalysts", z.B. die Umsetzungsprodukte von sek.‐ Butylb... more AlBr3 oder Sogenannte "slugged catalysts", z.B. die Umsetzungsprodukte von sek.‐ Butylbromid oder tert‐Butylchlorid mit AlCl3 oder AlBr3, eingesetzt.
Die Umsetzung von Diamantan (I) mit Dichlorcarben in Detergentien‐haltiger alkalischer Lösung erg... more Die Umsetzung von Diamantan (I) mit Dichlorcarben in Detergentien‐haltiger alkalischer Lösung ergibt ein 1,7: 1‐Gemisch der Dichlormethyldiamantane (II) und (III), die durch Reduktion mit Natrium in Methanol‐Lösung in die Methyl‐Derivate (IV) bzw; (V) umgewandelt werden.
The Journal of pharmacology and experimental therapeutics, 1991
A series of compounds derived from phencyclidine (PCP) was examined in the sigma receptor and PCP... more A series of compounds derived from phencyclidine (PCP) was examined in the sigma receptor and PCP receptor binding assays. The derivatives included compounds containing methylene, ethylene or carboxyl ethylene insertion between the cycloalkyl ring and the amine group of PCP. Various phenyl substitutions, cycloalkyl rings and amines of these derivatives were also examined. The methylene and ethylene insertions decreased the compounds' potencies at PCP receptors, whereas they increased the potencies at sigma receptors. The carboxyl ethylene insertion produced compounds with negligible potencies at PCP receptors while possessing high potencies for sigma receptors. One derivative (PRE-084; 2-(4-morpholino)ethyl 1-phenylcyclohexane-1-carboxylate hydrochloride) had an IC50 of 44 nM in the sigma receptor assay, an IC50 of more than 100,000 nM for PCP receptors and an IC50 higher than 10,000 nM in a variety of other receptor systems. In general, compounds with hydroxy-substituted phenyl...
The graphics program presented, ARCHEM, draws the molecular electrostatic potential (MEP) on a mo... more The graphics program presented, ARCHEM, draws the molecular electrostatic potential (MEP) on a molecular surface color-coded according to the magnitude of the potential. Vectors can be drawn on the surface to show the electric field surrounding the molecule and color-coded according to the magnitude of the field. The electrostatic potential (ESP) calculated from the wave function or from net atomic charges using GAUSSIAN 80 UCSF1.2 can be plotted at points on a shell surrounding the molecule. For the neurotransmitter glycine zwitterion, the MEP is calculated from the wave function and from different point charge models, and the results are represented graphically.
An experimental and theoretical study of the enantioselective deprotonation of cyclohexene oxide ... more An experimental and theoretical study of the enantioselective deprotonation of cyclohexene oxide with isopinocampheyl-based chiral lithium amides
AlBr3 oder Sogenannte "slugged catalysts", z.B. die Umsetzungsprodukte von sek.‐ Butylb... more AlBr3 oder Sogenannte "slugged catalysts", z.B. die Umsetzungsprodukte von sek.‐ Butylbromid oder tert‐Butylchlorid mit AlCl3 oder AlBr3, eingesetzt.
Die Umsetzung von Diamantan (I) mit Dichlorcarben in Detergentien‐haltiger alkalischer Lösung erg... more Die Umsetzung von Diamantan (I) mit Dichlorcarben in Detergentien‐haltiger alkalischer Lösung ergibt ein 1,7: 1‐Gemisch der Dichlormethyldiamantane (II) und (III), die durch Reduktion mit Natrium in Methanol‐Lösung in die Methyl‐Derivate (IV) bzw; (V) umgewandelt werden.
The Journal of pharmacology and experimental therapeutics, 1991
A series of compounds derived from phencyclidine (PCP) was examined in the sigma receptor and PCP... more A series of compounds derived from phencyclidine (PCP) was examined in the sigma receptor and PCP receptor binding assays. The derivatives included compounds containing methylene, ethylene or carboxyl ethylene insertion between the cycloalkyl ring and the amine group of PCP. Various phenyl substitutions, cycloalkyl rings and amines of these derivatives were also examined. The methylene and ethylene insertions decreased the compounds' potencies at PCP receptors, whereas they increased the potencies at sigma receptors. The carboxyl ethylene insertion produced compounds with negligible potencies at PCP receptors while possessing high potencies for sigma receptors. One derivative (PRE-084; 2-(4-morpholino)ethyl 1-phenylcyclohexane-1-carboxylate hydrochloride) had an IC50 of 44 nM in the sigma receptor assay, an IC50 of more than 100,000 nM for PCP receptors and an IC50 higher than 10,000 nM in a variety of other receptor systems. In general, compounds with hydroxy-substituted phenyl...
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