Recently, heme protein cavity mutants have been engineered in which the proximal coordinating amino acid has been replaced by a smaller, noncoordinating residue leaving a cavity that can be filled by exogenous axial ligands. This approach was pioneered by Barrick (Biochemistry 1994, 33, 6546-6554) with H93G sperm whale myoglobin where the coordinating histidine is replaced by glycine and the pr...

The ruthenium anticancer compound NAMI-A, imidazolium [trans-RuCl4(1H-imidazole)(DMSO-S)], is currently undergoing advanced clinical evaluation. As with other Ru(iii) chemotherapeutic candidates, interactions with human serum albumin (HSA) have been identified as a key component of the speciation of NAMI-A following intravenous administration. To characterize coordination to HSA, we have perfor...

In the title compound, [Fe(C48H36N4)(C4H6N2)2]ClO4·1.5C4H8O, the iron(III) metal is coordinated in a distorted octa-hedral geometry by four pyrrole N atoms of the porphyrin ligand in the equatorial plane and two N atoms of 2-methyl-imidazole ligands in the axial sites. The complex has a highly ruffled porphyrin core with mean absolute core-atom displacements C a, C b, C m and C av of 0.25 (5), ...

The asymmetric unit of the title compound, {[CoEr(2)(C(5)H(2)N(2)O(4))(2)(SO(4))(2)(H(2)O)(4)]·H(2)O}(n), contains a Co(II) ion, two Er(III) ions, two imidazole-4,5-dicarboxyl-ate (imdc) ligands, two SO(4) (2-) anions, four coordinated water mol-ecules and one uncoordinated water mol-ecule. The Co(II) ion is six-coordinated by two O atoms from two coordinated water mol-ecules and two O atoms an...

The crystal structure of di-μ(3)-chlorido-tetra-μ(2)-chlorido-dichloridoocta-(imidazole-κN)tetra-manganese(II) ethanol 1.234 solvate, [Mn(4)Cl(8)(C(3)H(4)N(2))(8)]·1.234C(2)H(5)O or [Mn(4)Cl(8)(Him)(8)]·1.234EtOH, where Him is imidazole (C(3)H(4)N(2)), is based upon two Mn(4)Cl(4) cubes which share one face, and which each lack one manganese vertex, giving a Mn(4)Cl(6) unit. This contains two d...

Numerous structurally diverse ligands were developed to target the human histamine H(3) receptor (hH(3)R), a presynaptic G(i)/G(o)-coupled auto- and heteroreceptor. Proxyfan was identified to be functionally selective, with different efficacies toward G(i)/G(o)-dependent hH(3)R signaling pathways. However, the underlying molecular mechanism of functional selectivity of proxyfan is still unclear...

Imidazole N-oxides are attractive starting materials for the preparation of complex molecules containing an imidazole ring. Dipolar cycloaddition between 1,1-difluoroalkenes and bearing a chiral auxiliary performed in presence oxygen or nitrogen nucleophiles was found to provide access esters amides 2-azaheteroaryl substituent at α position ring as mixtures diastereomers that, most cases, readi...

Abstract The asymmetric Rh‐catalyzed hydrocarboxylation of α,β‐unsaturated carbonyl compounds was originally developed by Mikami and co‐workers but gives only moderate enantiomeric excesses. In order to understand the factors controlling enantioselectivity propose novel ligands for this reaction, we have used computational experimental methods study with different bidentate ligands. analysis C−...