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3-[4-Hydroxy-3-[5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-3-(pentyloxy)-2-naphthalenyl]phenyl]-2-propenoicacid
UVI 3003 · UVI 3003, 10 mM in DMSO · UVI-3003 · UVI3003 · 3-(4-Hydroxy-3-(5,5,8,8-tetramethyl-3-(pentyloxy)-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl)acrylic acid · UVI-3003,UVI3003,Retinoid X receptors,Autophagy,RAR/RXR,Inhibitor,Retinoic acid receptors,inhibit,UVI 3003 · 3-[4-Hydroxy-3-[5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-3-(pentyloxy)-2-naphthalenyl]phenyl]-2-propenoicacid · 2-Propenoic acid, 3-[4-hydroxy-3-[5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-3-(pentyloxy)-2-naphthalenyl]phenyl]-
![Molekülstruktur von 3-[4-Hydroxy-3-[5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-3-(pentyloxy)-2-naphthalenyl]phenyl]-2-propenoicacid](/img/chemical/71433721.png)
Identifikatoren & physikalische Daten
| CAS No. | 847239-17-2 |
|---|---|
| Summenformel | C28H36O4 |
| Durchschnittliche Molmasse | 436,6 g/mol |
| Monoisotopische Masse | 436,26135963 g/mol |
| SMILES | CCCCCOc1cc2c(cc1-c1cc(C=CC(=O)O)ccc1O)C(C)(C)CCC2(C)C |
| InChIKey | APJSHECCIRQQDV-UHFFFAOYSA-N |
| PubChem CID | 71433721 |
| DTXSID | DTXSID501024375 |
Chemische & physikalische Eigenschaften
| XLogP | 8 |
|---|---|
| Polarare Oberfläche (TPSA) | 66,8 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 32 |
| Formalladung | 0 |
| Komplexität | 652 |
| Siedepunkt | 563.876±50.00 °C(Press: 760.00 Torr)(predicted) |
| Dichte | 1.085±0.06 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| Lagerbedingungen | Inert atmosphere,Store in freezer, under -20°C |
| Löslichkeit | DMF: 25 mg/mlDMSO: 15 mg/mlEthanol: 20 mg/ml |
| Aggregatzustand | A crystalline solid |
| pKa (Säurekonstante) | 4.603±0.10(predicted) |
| Farbe | White to off-white |
| InChI | 1S/C28H36O4/c1-6-7-8-15-32-25-18-23-22(27(2,3)13-14-28(23,4)5)17-21(25)20-16-19(9-11-24(20)29)10-12-26(30)31/h9-12,16-18,29H,6-8,13-15H2,1-5H3,(H,30,31)/b12-10+ |
| InChIKey | APJSHECCIRQQDV-ZRDIBKRKSA-N |
| SMILES | CC(CCC1(C)C)(C)C2=C1C=C(C3=C(O)C=CC(C=CC(O)=O)=C3)C(OCCCCC)=C2 |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | WGK 3 |
|---|---|
| Zollcode | 2918999090 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
UVI 3003 is an antagonist of retinoid X receptor (RXR).