Ro 46-2005: an orally active non-peptide antagonist of endothelin receptors; structure given in first source [Medical Subject Headings (MeSH), National Library of Medicine, extracted Dec-2023]
| ID Source | ID |
|---|---|
| PubMed CID | 122044 |
| CHEMBL ID | 115951 |
| SCHEMBL ID | 2678965 |
| MeSH ID | M0222720 |
| Synonym |
|---|
| ro-46-2005 |
| L008404 |
| CHEMBL115951 , |
| bdbm50105015 |
| 4-(4-tert-butyl-pyrimidin-1-yl)-n-(2-hydroxy-ethoxy)-3-(3-methoxy-phenoxy)-benzenesulfonamide |
| 4-tert-butyl-n-[6-(2-hydroxy-ethoxy)-5-(3-methoxy-phenoxy)-pyrimidin-4-yl]-benzenesulfonamide |
| 4-tert-butyl-n-[6-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)pyrimidin-4-yl]benzenesulfonamide |
| 4-tert-butyl-n-(6-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)-4-pyrimidinyl)benzenesulfonamide |
| 150725-87-4 |
| 4-(1,1-dimethylethyl)-n-(6-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)-4-pyrimidinyl)benzenesulfonamide |
| benzenesulfonamide, 4-(1,1-dimethylethyl)-n-(6-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)-4-pyrimidinyl)- |
| ro 46-2005 |
| ro46-2005 |
| HY-19529 |
| CS-5282 |
| 4-tert-butyl-n-{6-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)pyrimidin-4-yl}benzenesulfonamide |
| p-tert-butyl-n-[6-(2-hydroxy-ethoxy) -5-(m-methoxyphenoxy)-4-pyrimidinyl]benzenesulfonamide |
| ZNXOKLWCOWOECF-UHFFFAOYSA-N , |
| SCHEMBL2678965 |
| DTXSID80164598 |
| AKOS030526571 |
| ro462005 |
| 4-(tert-butyl)-n-(6-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)pyrimidin-4-yl)benzenesulfonamide |
| ZB0030 |
| ro 462005 |
| BCP17756 |
| BS-15473 |
| benzenesulfonamide, 4-(1,1-dimethylethyl)-n-[6-(2-hydroxyethoxy)-5-(3-methoxyphenoxy)-4-pyrimidinyl]- |
| C72863 |
| Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
|---|---|---|---|---|---|---|---|
| Endothelin receptor type B | Rattus norvegicus (Norway rat) | IC50 (µMol) | 1.0000 | 0.0000 | 1.1744 | 4.4000 | AID1626366 |
| Endothelin receptor type B | Homo sapiens (human) | IC50 (µMol) | 1.1000 | 0.0001 | 0.6565 | 9.8000 | AID66361 |
| Endothelin-1 receptor | Homo sapiens (human) | IC50 (µMol) | 0.2200 | 0.0000 | 0.7647 | 9.9000 | AID1626370 |
| Endothelin-1 receptor | Rattus norvegicus (Norway rat) | IC50 (µMol) | 0.2300 | 0.0000 | 1.7746 | 10.0000 | AID66191 |
| Endothelin-1 receptor | Sus scrofa (pig) | IC50 (µMol) | 0.1600 | 0.0002 | 0.6137 | 2.9000 | AID68637 |
| [prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] | |||||||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| endothelin receptor activity | Endothelin receptor type B | Homo sapiens (human) |
| protein binding | Endothelin receptor type B | Homo sapiens (human) |
| peptide hormone binding | Endothelin receptor type B | Homo sapiens (human) |
| type 1 angiotensin receptor binding | Endothelin receptor type B | Homo sapiens (human) |
| phosphatidylinositol phospholipase C activity | Endothelin-1 receptor | Homo sapiens (human) |
| endothelin receptor activity | Endothelin-1 receptor | Homo sapiens (human) |
| protein binding | Endothelin-1 receptor | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Process | via Protein(s) | Taxonomy |
|---|---|---|
| plasma membrane | Endothelin receptor type B | Homo sapiens (human) |
| nuclear membrane | Endothelin receptor type B | Homo sapiens (human) |
| plasma membrane | Endothelin receptor type B | Homo sapiens (human) |
| plasma membrane | Endothelin-1 receptor | Homo sapiens (human) |
| plasma membrane | Endothelin-1 receptor | Homo sapiens (human) |
| [Information is prepared from geneontology information from the June-17-2024 release] | ||
| Assay ID | Title | Year | Journal | Article |
|---|---|---|---|---|
| AID224984 | Ability to protect rats from ET-1 induced sudden death in rats after peroral administration | 1996 | Journal of medicinal chemistry, May-24, Volume: 39, Issue:11 | Discovery and optimization of a novel class of orally active nonpeptidic endothelin-A receptor antagonists. |
| AID68637 | In vitro inhibition of [125I]ET1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells | 2001 | Journal of medicinal chemistry, Oct-11, Volume: 44, Issue:21 | Potent and selective ET-A antagonists. 1. Syntheses and structure-activity relationships of N-(6-(2-(aryloxy)ethoxy)-4-pyrimidinyl)sulfonamide derivatives. |
| AID16333 | Delta logD (pH 6.5) | 1996 | Journal of medicinal chemistry, Feb-16, Volume: 39, Issue:4 | Azole endothelin antagonists. 3. Using delta log P as a tool to improve absorption. |
| AID225828 | In vivo prevention of ET-1-induced sudden death in rats by pretreatment with endothelin receptor antagonist at a dose of 10 mg/kg p.o.; nd = not determined | 1996 | Journal of medicinal chemistry, May-24, Volume: 39, Issue:11 | Discovery and optimization of a novel class of orally active nonpeptidic endothelin-A receptor antagonists. |
| AID225829 | In vivo prevention of ET-1-induced sudden death in rats by pretreatment with endothelin receptor antagonist at a dose of 30 mg/kg p.o.; nd = not determined | 1996 | Journal of medicinal chemistry, May-24, Volume: 39, Issue:11 | Discovery and optimization of a novel class of orally active nonpeptidic endothelin-A receptor antagonists. |
| AID66191 | In vitro for specific binding of [125I]ET1 to A10 cell expressed in endothelin A receptor | 2001 | Journal of medicinal chemistry, Oct-11, Volume: 44, Issue:21 | Potent and selective ET-A antagonists. 1. Syntheses and structure-activity relationships of N-(6-(2-(aryloxy)ethoxy)-4-pyrimidinyl)sulfonamide derivatives. |
| AID66361 | Ability to inhibit specific binding of [125I]- -ET-1 to human GH cells which express endothelin B receptor | 2001 | Journal of medicinal chemistry, Oct-11, Volume: 44, Issue:21 | Potent and selective ET-A antagonists. 1. Syntheses and structure-activity relationships of N-(6-(2-(aryloxy)ethoxy)-4-pyrimidinyl)sulfonamide derivatives. |
| AID225827 | In vivo prevention of ET-1-induced sudden death in rats by pretreatment with endothelin receptor antagonist at a dose of 100 mg/kg p.o.; nd = not determined | 1996 | Journal of medicinal chemistry, May-24, Volume: 39, Issue:11 | Discovery and optimization of a novel class of orally active nonpeptidic endothelin-A receptor antagonists. |
| AID1626366 | Displacement of 125I-ET1 from rat aortic ring ETB receptor | 2016 | Bioorganic & medicinal chemistry letters, 08-01, Volume: 26, Issue:15 | From bosentan (Tracleer®) to macitentan (Opsumit®): The medicinal chemistry perspective. |
| AID166824 | Functional vascular ET-1 antagonism was determined in rabbit aorta rings with intact endothelium | 1996 | Journal of medicinal chemistry, May-24, Volume: 39, Issue:11 | Discovery and optimization of a novel class of orally active nonpeptidic endothelin-A receptor antagonists. |
| AID16334 | Partition coefficient by standard shake-flask techniquesat 37 C, using octanol and cyclohexane | 1996 | Journal of medicinal chemistry, Feb-16, Volume: 39, Issue:4 | Azole endothelin antagonists. 3. Using delta log P as a tool to improve absorption. |
| AID1626370 | Displacement of 125I-ET1 from human smooth muscle ETA receptor expressed in fall armyworm sf9 cell membranes | 2016 | Bioorganic & medicinal chemistry letters, 08-01, Volume: 26, Issue:15 | From bosentan (Tracleer®) to macitentan (Opsumit®): The medicinal chemistry perspective. |
| [information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||||
| Timeframe | Studies, This Drug (%) | All Drugs % |
|---|---|---|
| pre-1990 | 0 (0.00) | 18.7374 |
| 1990's | 22 (84.62) | 18.2507 |
| 2000's | 3 (11.54) | 29.6817 |
| 2010's | 1 (3.85) | 24.3611 |
| 2020's | 0 (0.00) | 2.80 |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
| Publication Type | This drug (%) | All Drugs (%) |
|---|---|---|
| Trials | 0 (0.00%) | 5.53% |
| Reviews | 4 (15.38%) | 6.00% |
| Case Studies | 0 (0.00%) | 4.05% |
| Observational | 0 (0.00%) | 0.25% |
| Other | 22 (84.62%) | 84.16% |
| [information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | ||
| Article | Year |
|---|---|
| Azole endothelin antagonists. 3. Using delta log P as a tool to improve absorption. Journal of medicinal chemistry, Feb-16, Volume: 39, Issue: 4 | 1996 |
| [information is derived through text-mining from research data collected from National Library of Medicine (NLM), extracted Dec-2023] | |