CAS Number147536-97-8
Synonyms4-tert-Butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl]benzenesulfonamide; MFCD00867375; Bosentan; Actelion; ro47-0203; UNII-XUL93R30K2
Molecular FormulaC27H29O6N5S1
Molecular Weight551.62
Purity98%
Density1.3±0.1 g/cm3
Boiling Point742.3±70.0 °C at 760 mmHg
Melting Point171-175 °C(lit.)
AppearanceLight yellow to off-white solid
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 147536-97-8 |
| Catalog No. | 2A-9009432 |
| Chinese Name | 波生坦 |
| Synonyms | 4-tert-Butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl]benzenesulfonamide; MFCD00867375; Bosentan; Actelion; ro47-0203; UNII-XUL93R30K2 |
| Molecular Formula | C27H29O6N5S1 |
| Molecular Weight | 551.62 |
| Purity | 98 |
| Density | 1.3±0.1 g/cm3 |
| Boiling Point | 742.3±70.0 °C at 760 mmHg |
| Melting Point | 171-175 °C(lit.) |
| Appearance | Light yellow to off-white solid |
| Storage Condition | -20°C Freezer |
| Application | Bosentan is a potent endothelin-1 (ET) antagonist at ETA and ETB receptors in human SMC cells with Ki values of 4.7 nM and 95 nM, respectively. |
| HTC | 2935009090 |
| MDL Number | MFCD00867375 |
| SMILES | COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO |
| InChI | InChI=1S/C27H29N5O6S/c1-27(2,3)18-10-12-19(13-11-18)39(34,35)32-23-22(38-21-9-6-5-8-20(21)36-4)26(37-17-16-33)31-25(30-23)24-28-14-7-15-29-24/h5-15,33H,16-17H2,1-4H3,(H,30,31,32) |
| InChI Key | GJPICJJJRGTNOD-UHFFFAOYSA-N |
| MSDS | msds/9432_1_147536_97_8.pdf |
| Use of | Bosentan is a competitive and dual antagonist of endothelin-1 (ET) for the ETA and ETB receptors with Ki of 4.7 nM and 95 nM in human SMC, respectively. Properties Name bosentan Synonym More Synonyms Bosentan Biological Activity Description Bosentan is a competitive and dual antagonist of endothelin-1 (ET) for the ETA and ETB receptors with Ki of 4.7 nM and 95 nM in human SMC, respectively. Related Catalog Signaling Pathways >> GPCR/G Protein >> Endothelin Receptor Research Areas >> Cardiovascular Disease Ki: 4.7 nM (ETA receptor, in human SMC), 95 nM (ETA receptor, in human SMC)[1] In Vitro Bosentan (BOS) competitively and specifically antagonizes binding of 125I-labelled ET-1 to ETA receptors on human smooth muscle cells (SMC) and ETB receptors on human placenta cells. The in vitro binding affinity of Bosentan to ETA receptors on human SMC is 4.7 nM and to ETB receptors on human SMC or placenta cells is 41 or 95 nM. Bosentan has 67-fold greater selectivity for ETA than ETB receptors (mean IC50=7.1 vs 474.8 nM) in an in vitro 125I-labeling assay[1]. Cell Assay Cell viability is evaluated by the trypan blue exclusion test. Human dermal fibroblasts are treated with the indicated concentration of Bosentan (10, 20 and 40 μM). Cell viability is examined at 24 and 48 hours. Stained (dead) and unstained (viable) cells are counted with a hematocytometer[2]. References [1]. Dhillon S, et al. Bosentan: a review of its use in the management of mildly symptomatic pulmonary arterial hypertension. Am J Cardiovasc Drugs. 2009;9(5):331-50. [2]. Akamata K, et al. Bosentan reverses the pro-fibrotic phenotype of systemic sclerosis dermal fibroblasts via increasing DNA binding ability of transcription factor Fli1. Arthritis Res Ther. 2014 Apr 3;16(2):R86. [3]. Iglarz M, et al. Comparison of pharmacological activity of macitentan and bosentan in preclinical models of systemic and pulmonary hypertension. Life Sci. 2014 Nov 24;118(2):333-9. [4]. Son GY, et al. Endothelin Regulates Porphyromonas gingivalis-Induced Production of Inflammatory Cytokines. PLoS One. 2016 Dec 28;11(12):e0167713. Chemical & Physical Properties Molecular Formula C27H29N5O6S Exact Mass 551.183838 PSA 154.03000 Index of Refraction 1.607 InChIKey GJPICJJJRGTNOD-UHFFFAOYSA-N Safety Information Hazard Codes Xi Risk Phrases R36:Irritating to the eyes. R43:May cause sensitization by skin contact. WGK Germany 3 HS Code 2935009090 |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 35.0% |
| Transport Info | Product name: Summary 2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0% |
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