CAS 125961-82-2|Tipelukast
Introduction：Basic information about CAS 125961-82-2|Tipelukast, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Tipelukast | ||
|---|---|---|---|
| CAS Number | 125961-82-2 | Molecular Weight | 530.673 |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 735.3±60.0 °C at 760 mmHg |
| Molecular Formula | C29H38O7S | Melting Point | / |
| MSDS | / | Flash Point | 398.5±32.9 °C |
Names
| Name | 4-[6-acetyl-3-[3-(4-acetyl-3-hydroxy-2-propylphenyl)sulfanylpropoxy]-2-propylphenoxy]butanoic acid |
|---|---|
| Synonym | More Synonyms |
Tipelukast BiologicalActivity
| Description | Tipelukast (KCA 757) is a sulfidopeptide leukotriene receptor antagonist, an orally bioavailable anti-inflammatory agent and used for the treatment of asthma. |
|---|---|
| Related Catalog | Signaling Pathways >>GPCR/G Protein >>Leukotriene ReceptorResearch Areas >>Inflammation/Immunology |
| Target | LTD4:6.41 (pA2, In guinea-pigs) LTE4:6.45 (pA2, In guinea-pigs) |
| In Vitro | Tipelukast inhibits the binding of [3H] LTD4 to the LTD4 receptors on pul-monary cell membrane of guinea-pigs (IC50 = 2.3 μmol)[2]. |
| In Vivo | Fiftheen min after an aerosolized antigen challenge, and UNDW inhaled 5 min later into the guinea pigs, Tipelukast significantly alters the UNDW-induced bronchoconstriction[1]. Tipelukast (1 and 5 mg/kg) administered intravenously 15 min after antigen challenge reduces the propranolol-induced bronchoconstriction (PIB) in a dose-dependent manner in guinea-pigs[2]. |
| References | [1]. Fujimura M, et al. No involvement of lipid mediators in a guinea pig model of ultrasonically nebulized distilled water-induced bronchoconstriction. Prostaglandins Other Lipid Mediat. 2000 Jan;60(1-3):49-58. [2]. Fujimura M, et al. Role of leukotrienes in post-allergic propranolol-induced bronchoconstriction in guinea-pigs. Clin Exp Allergy. 1997 Oct;27(10):1219-26. |
Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 735.3±60.0 °C at 760 mmHg |
| Molecular Formula | C29H38O7S |
| Molecular Weight | 530.673 |
| Flash Point | 398.5±32.9 °C |
| Exact Mass | 530.233826 |
| PSA | 135.43000 |
| LogP | 7.85 |
| Vapour Pressure | 0.0±2.5 mmHg at 25°C |
| Index of Refraction | 1.582 |
| InChIKey | KPWYNAGOBXLMSE-UHFFFAOYSA-N |
| SMILES | CCCc1c(SCCCOc2ccc(C(C)=O)c(OCCCC(=O)O)c2CCC)ccc(C(C)=O)c1O |
Synonyms
| MN-001 |
| Butanoic acid,4-[6-acetyl-3-[3-[(4-acetyl-3-hydroxy-2-propylphenyl)thio]propoxy]-2-propylphenoxy] |
| Tipelukast [USAN:INN] |
| KCA 757 |
| Tipelukast (USAN) |
| 4-(6-acetyl-3-(3-(4-acetyl-3-hydroxy-2-propylphenylthio)propoxy)-2-propylphenoxy)butyric acid |
| Tipelukast |
| Butanoic acid, 4-[6-acetyl-3-[3-[(4-acetyl-3-hydroxy-2-propylphenyl)thio]propoxy]-2-propylphenoxy]- |
| 4-(6-Acetyl-3-{3-[(4-acetyl-3-hydroxy-2-propylphenyl)sulfanyl]propoxy}-2-propylphenoxy)butanoic acid |
