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Pockes, Steffen ; Wifling, David ; Keller, Max ; Buschauer, Armin ; Elz, Sigurd

Highly Potent, Stable, and Selective Dimeric Hetarylpropylguanidine-Type Histamine H2 Receptor Agonists

Pockes, Steffen , Wifling, David , Keller, Max, Buschauer, Armin and Elz, Sigurd (2018) Highly Potent, Stable, and Selective Dimeric Hetarylpropylguanidine-Type Histamine H2 Receptor Agonists. ACS Omega 2018 (3), pp. 2865-2882.

Date of publication of this fulltext: 14 May 2018 13:57
Article
DOI to cite this document: 10.5283/epub.37314


Abstract

On the basis of the long-known prototypic pharmacophore 3-(1H-imidazol-4-yl) propylguanidine (SK&F 91486, 2), monomeric, homodimeric, and heterodimeric bisalkylguanidine-type histamine H-2 receptor (H2R) agonists with various alkyl spacers were synthesized. Aiming at increased H2R selectivity of the ligands, the imidazol-4-yl moiety was replaced by imidazol-1-yl, 2-aminothiazol-5-yl or ...

On the basis of the long-known prototypic pharmacophore 3-(1H-imidazol-4-yl) propylguanidine (SK&F 91486, 2), monomeric, homodimeric, and heterodimeric bisalkylguanidine-type histamine H-2 receptor (H2R) agonists with various alkyl spacers were synthesized. Aiming at increased H2R selectivity of the ligands, the imidazol-4-yl moiety was replaced by imidazol-1-yl, 2-aminothiazol-5-yl or 2-amino-4-methylthiazol-5-yl according to a bioisosteric approach. All compounds turned out to be partial or full agonists at the h/gp/rH(2)R. The most potent analogue, the thiazole-type heterodimeric ligand 63 (UR-Po461), was a partial agonist (E-max = 88%) and 250 times more potent than histamine (pEC(50): 8.56 vs 6.16, gpH(2)R, atrium). The homodimeric structures 56 (UR-Po395) and 58 (UR-Po448) exhibited the highest hH(2)R affinities (pK(i): 7.47, 7.33) in binding studies. Dimeric amino(methyl) thiazole derivatives, such as 58, generated an increased hH(2)R selectivity compared to the monomeric analogues, e.g., 139 (UR-Po444). Although monomeric ligands showed up lower affinities and potencies at the H2R, compounds with a short alkylic side chain like 129 (UR-Po194) proved to be highly affine hH(4)R ligands.



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Details

Item typeArticle
Journal or Publication TitleACS Omega
Publisher:American Chemical Society
Place of Publication:WASHINGTON
Volume:2018
Number of Issue or Book Chapter:3
Page Range:pp. 2865-2882
DateMarch 2018
Additional Information (public)zu den Nachnutzungsbedingungen: "ACS AuthorChoice - This is an open access article published under an ACS AuthorChoice License (https://pubs.acs.org/page/policy/authorchoice_termsofuse.html), which permits copying and redistribution of the article or any adaptations for non-commercial purposes
InstitutionsChemistry and Pharmacy > Institute of Pharmacy > Pharmaceutical/Medicinal Chemistry I (Prof. Elz)
Identification Number
ValueType
10.1021/acsomega.8b00128DOI
KeywordsG-ACYLATED IMIDAZOLYLPROPYLGUANIDINES; HIGH CONSTITUTIVE ACTIVITY; PROTEIN-COUPLED RECEPTORS; IN-VITRO PHARMACOLOGY; H-4 RECEPTOR; MOLECULAR-DYNAMICS; BINDING-SITE; SF9; SYNCHRONIZATION; ANTAGONIST;
Dewey Decimal Classification500 Science > 540 Chemistry & allied sciences
600 Technology > 615 Pharmacy
StatusPublished
RefereedYes, this version has been refereed
Created at the University of RegensburgYes
URN of the UB Regensburgurn:nbn:de:bvb:355-epub-373145
Item ID37314

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