HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 133021Erstellt: 4. November 2026
Licofelone
icofeL · ML 3000 · Licofelone · Licofelone, >=99% · Licofelone, ML-3000 · Licofelone USP/EP/BP · 16-dihydrotanshinone I · Licofelone, 10 mM in DMSO
https://huagongshe.com/de/chemical/133021
Identifikatoren & physikalische Daten
| CAS No. | 156897-06-2 |
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| Summenformel | C23H22ClNO2 |
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| Durchschnittliche Molmasse | 379,9 g/mol |
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| Monoisotopische Masse | 379,13390662 g/mol |
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| SMILES | CC1(C)Cc2c(-c3ccccc3)c(-c3ccc(Cl)cc3)c(CC(=O)O)n2C1 |
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| InChIKey | UAWXGRJVZSAUSZ-UHFFFAOYSA-N |
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| PubChem CID | 133021 |
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| ChEMBL | CHEMBL300982 |
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| ChEBI | CHEBI:47532 |
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| EC No. | 694-581-3 |
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| DTXSID | DTXSID40166154 |
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Chemische & physikalische Eigenschaften
| XLogP | 5,2 |
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| Polarare Oberfläche (TPSA) | 42,2 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 27 |
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| Formalladung | 0 |
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| Komplexität | 536 |
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| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
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| Schmelzpunkt | 162-163°C |
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| Siedepunkt | 539.7±50.0 °C(Predicted) |
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| Dichte | 1.23 |
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| Lagerbedingungen | -20°C Freezer |
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| Löslichkeit | Chloroform, Methanol |
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| pKa (Säurekonstante) | 4.47±0.10(Predicted) |
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| Aggregatzustand | Solid |
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| Farbe | Off-White to Light Yellow |
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| CAS Datenbank | 156897-06-2(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
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Anwendungen & Verwendung
Beschreibung
Cross-talk between lipoxygenase (LO) and cyclooxygenase (COX) pathways has been observed in human osteoarthritic synovial explants which creates an arachidonic acid shunting phenomenon, stimulating interleukin-1β (IL-1β) synthesis. Licofelone is a dual inhibitor of cyclooxygenase (COX) and lipoxygenase (LO) pathways, that decreases levels of prostaglandin E2, leukotriene B4, and lipoxins and prevents lipopolysaccharide-stimulated IL-1β expression. The IC50 values for inhibition of human thrombocyte COX and human 5-LO are 0.16 μM and 0.23 μM, respectively. Unlike other non-steroidal anti-inflammatory drugs, licofelone causes little or no damage to the gastric mucosa in rabbit parietal cells. This is presumably the result of licofelone’s affects on acid-secretory mechanisms, mediated by the inhibition of 5-LO activity.
