CAS Number158876-82-5
SynonymsRupatadine [INN]; UR-12592; MFCD00926499; Rupatadinefumarate; Rupatadine; Rupatadine Fumarate
Molecular FormulaC26H26ClN3
Molecular Weight415.96
Purity98%
Density1.2±0.1 g/cm3
Boiling Point586.4±50.0 °C at 760 mmHg
Melting Point58-61ºC
Appearancesolid
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 158876-82-5 |
| Catalog No. | 2A-9012359 |
| Chinese Name | 芦帕他定 |
| Synonyms | Rupatadine [INN]; UR-12592; MFCD00926499; Rupatadinefumarate; Rupatadine; Rupatadine Fumarate |
| Molecular Formula | C26H26ClN3 |
| Molecular Weight | 415.96 |
| Purity | 98 |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 586.4±50.0 °C at 760 mmHg |
| Melting Point | 58-61ºC |
| Appearance | solid |
| Storage Condition | 2-8℃ |
| Application | Rupatadine (UR-12592) is a dual inhibitor of PAF/H1 receptors with Ki values of 0.55uM and 0.1uM respectively. |
| HTC | 2933990090 |
| PubChem ID | 329796177 |
| MDL Number | MFCD09039284 |
| SMILES | CC1=CN=CC(CN2CCC(CC2)=C3C4=CC=C(C=C4CCC5=CC=CN=C35)Cl)=C1 |
| InChI | 1S/C26H26ClN3/c1-18-13-19(16-28-15-18)17-30-11-8-20(9-12-30)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-29-26(21)25/h2-3,6-7,10,13-16H,4-5,8-9,11-12,17H2,1H3 |
| InChI Key | WUZYKBABMWJHDL-UHFFFAOYSA-N |
| NACRES Code | NA.21 |
| UNSPSC | 12352200 |
| MSDS | msds/12359_1_158876_82_5.pdf |
| Use of | Properties Name 8-chloro-11-[1-[(5-methylpyridin-3-yl)methyl]piperidin-4-ylidene]-5,6-dihydrobenzo[1,2]cyclohepta[2,4-b]pyridine Synonym More Synonyms Rupatadine Biological Activity Related Catalog Signaling Pathways >> GPCR/G Protein >> 5-HT Receptor Signaling Pathways >> Neuronal Signaling >> 5-HT Receptor Research Areas >> Inflammation/Immunology References [1]. Merlos M, et al. Rupatadine, a new potent, orally active dual antagonist of histamine and platelet-activating factor (PAF). J Pharmacol Exp Ther. 1997 Jan;280(1):114-21. [2]. Queralt M, et al. In vitro inhibitory effect of rupatadine on histamine and TNF-alpha release from dispersed canine skin mast cells and the human mast cell line HMC-1. Inflamm Res. 2000 Jul;49(7):355-60. [3]. Lv XX, et al. Rupatadine protects against pulmonary fibrosis by attenuating PAF-mediated senescence in rodents. PLoS One. 2013 Jul 15;8(7):e68631. Chemical & Physical Properties Exact Mass 415.181519 PSA 29.02000 Index of Refraction 1.646 InChIKey WUZYKBABMWJHDL-UHFFFAOYSA-N Storage condition 2-8℃ Safety Information HS Code 2933990090 Synthetic Route 3-(Bromomethyl)... CAS#:120276-47-3 Desloratadine CAS#:100643-71-8 Rupatadine CAS#:158876-82-5 Literature: Journal of Medicinal Chemistry, , vol. 37, # 17 p. 2697 - 2703 3,5-Dimethylpyridine CAS#:591-22-0 Desloratadine CAS#:100643-71-8 Rupatadine CAS#:158876-82-5 3,5-Dimethylpyridine CAS#:591-22-0 Rupatadine CAS#:158876-82-5 Literature: Journal of Medicinal Chemistry, , vol. 37, # 17 p. 2697 - 2703 Precursor & DownStream Precursor 4 CAS#:120276-47-3 3-(Bromomethyl)... CAS#:100643-71-8 Desloratadine CAS#:591-22-0 3,5-Dimethylpyridine CAS#:3222-49-9 5-Methylnicotin... DownStream 0 |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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