Cas no 253688-62-9 (HYDROXY DESMETHYL BOSENTAN)
HYDROXY DESMETHYL BOSENTAN Chemical and Physical Properties
Names and Identifiers
-
- HYDROXY DESMETHYL BOSENTAN
- N-[6-(2-hydroxyethoxy)-5-(2-hydroxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
- CHEMBL3928609
- DTXSID401105865
- CS-0112253
- 4-(2-Hydroxy-1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-hydroxyphenoxy)[2,2a(2)-bipyrimidin]-4-yl]benzenesulfonamide
- 4-(2-HYDROXY-1,1-DIMETHYLETHYL)-N-(6-(2-HYDROXYETHOXY)-5-(2-HYDROXYPHENOXY)(2,2'-BIPYRIMIDIN)-4-YL)BENZENESULFONAMIDE
- 253688-62-9
- Hydroxy-demethoxybosentan
- HM5MDJ6EBL
- HY-135390
- AKOS040733398
- UNII-HM5MDJ6EBL
- Benzenesulfonamide, 4-(2-hydroxy-1,1-dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-hydroxyphenoxy)(2,2'-bipyrimidin)-4-yl)-
- Ro 64-1056
- J-015962
- SCHEMBL7787105
-
- Inchi： 1S/C26H27N5O7S/c1-26(2,16-33)17-8-10-18(11-9-17)39(35,36)31-22-21(38-20-7-4-3-6-19(20)34)25(37-15-14-32)30-24(29-22)23-27-12-5-13-28-23/h3-13,32-34H,14-16H2,1-2H3,(H,29,30,31)
- InChI Key： JXXCMZWROOURSZ-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=CC=1)C(C)(C)CO)(NC1C(=C(N=C(C2N=CC=CN=2)N=1)OCCO)OC1C=CC=CC=1O)(=O)=O
Computed Properties
- Exact Mass: 553.16300
- Monoisotopic Mass: 553.16311939g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 12
- Heavy Atom Count: 39
- Rotatable Bond Count: 11
- Complexity: 846
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 185?2
Experimental Properties
- PSA: 185.26000
- LogP: 4.02710
HYDROXY DESMETHYL BOSENTAN Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | H938000-1mg |
Hydroxy Desmethyl Bosentan |
253688-62-9 | 1mg |
$224.00 | 2023-05-18 | ||
| TRC | H938000-2mg |
Hydroxy Desmethyl Bosentan |
253688-62-9 | 2mg |
$414.00 | 2023-05-18 | ||
| TRC | H938000-5mg |
Hydroxy Desmethyl Bosentan |
253688-62-9 | 5mg |
$953.00 | 2023-05-18 | ||
| TRC | H938000-10mg |
Hydroxy Desmethyl Bosentan |
253688-62-9 | 10mg |
$1774.00 | 2023-05-18 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-491283-1 mg |
Hydroxy Desmethyl Bosentan-d4, |
253688-62-9 | 1mg |
￥4,061.00 | 2023-07-11 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-207742-1 mg |
Hydroxy Desmethyl Bosentan, |
253688-62-9 | 1mg |
￥3,234.00 | 2023-07-11 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-207742-1mg |
Hydroxy Desmethyl Bosentan, |
253688-62-9 | 1mg |
￥3234.00 | 2023-09-05 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-491283-1mg |
Hydroxy Desmethyl Bosentan-d4, |
253688-62-9 | 1mg |
￥4061.00 | 2023-09-05 | ||
| 1PlusChem | 1P007NUO-1mg |
Hydroxy Desmethyl Bosentan |
253688-62-9 | ≥90% | 1mg |
$276.00 | 2024-05-20 | |
| 1PlusChem | 1P007NUO-5mg |
Hydroxy Desmethyl Bosentan |
253688-62-9 | ≥90% | 5mg |
$1127.00 | 2024-05-20 |
HYDROXY DESMETHYL BOSENTAN Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
Additional information on HYDROXY DESMETHYL BOSENTAN
HYDROXY DESMETHYL BOSENTAN: A Comprehensive Overview
The compound with CAS No. 253688-62-9, commonly referred to as HYDROXY DESMETHYL BOSENTAN, is a significant molecule in the field of pharmaceutical chemistry. This compound has garnered attention due to its potential applications in drug development and its unique chemical properties. In this article, we will delve into the structure, synthesis, and biological activities of HYDROXY DESMETHYL BOSENTAN, while also exploring its implications in contemporary research.
HYDROXY DESMETHYL BOSENTAN is a derivative of bosentan, a well-known endothelin receptor antagonist. The modification involves the removal of a methyl group and the introduction of a hydroxyl group, which alters the compound's pharmacokinetic and pharmacodynamic profiles. This structural modification has been shown to enhance certain therapeutic properties while potentially reducing side effects. Recent studies have highlighted the importance of such structural tweaks in optimizing drug efficacy and safety.
The synthesis of HYDROXY DESMETHYL BOSENTAN involves a series of intricate organic reactions. Researchers have employed various methodologies, including nucleophilic substitution and oxidation reactions, to achieve the desired product. These methods have been refined over time to improve yield and purity, ensuring that the compound meets rigorous quality standards for preclinical and clinical testing.
One of the most promising aspects of HYDROXY DESMETHYL BOSENTAN is its potential in treating cardiovascular diseases. Endothelin receptor antagonists like bosentan are already used in managing conditions such as pulmonary hypertension. By modifying the structure to create HYDROXY DESMETHYL BOSENTAN, scientists aim to enhance the compound's selectivity for specific endothelin receptors, thereby improving therapeutic outcomes.
Recent research has also explored the role of HYDROXY DESMETHYL BOSENTAN in inflammation and fibrosis. Studies conducted in vitro and in vivo have demonstrated that this compound exhibits anti-inflammatory properties, potentially making it a candidate for treating chronic inflammatory diseases. Additionally, its ability to modulate fibrotic processes suggests applications in conditions like liver cirrhosis and kidney fibrosis.
The pharmacokinetics of HYDROXY DESMETHYL BOSENTAN have been extensively studied to understand its absorption, distribution, metabolism, and excretion (ADME) profile. These studies are crucial for determining the optimal dosage regimen and identifying potential drug-drug interactions. Early findings indicate that the compound has favorable bioavailability and a manageable metabolic profile, which are essential attributes for a successful therapeutic agent.
Toxicological evaluations are another critical area of research for HYDROXY DESMETHYL BOSENTAN. Preclinical studies have assessed its safety profile using various animal models. Results from these studies suggest that the compound exhibits low toxicity at therapeutic doses, which is encouraging for its prospective use in humans.
In conclusion, HYDROXY DESMETHYL BOSENTAN (CAS No. 253688-62-9) represents a promising advancement in pharmaceutical chemistry. Its unique structure, derived from bosentan through strategic modifications, offers enhanced therapeutic potential across multiple disease areas. As research continues to unfold, this compound holds the promise of becoming an invaluable tool in modern medicine.
253688-62-9 (HYDROXY DESMETHYL BOSENTAN) Related Products
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