Grundinformationen
- Standard-SMILES
CC(C)CCCC(C)C1CCC2C3CC=C4CC(OC(=O)CCC(=O)O)CCC4(C)C3CCC12C- InChIKey
WLNARFZDISHUGS-UHFFFAOYSA-N- Summenformel
- C31H50O4
- Durchschnittliche Molmasse
- 486,7 g/mol
Namen und Bezeichner
- Bevorzugter Name
- 4-[[17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxo-butanoic acid
- IUPAC
- 4-[[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4-oxobutanoic acid
- Lokaler Name
- Cholest-5-en-3β-ylhydrogensuccinat
- Englischer Name
- Cholesteryl hemisuccinate
- Summenformel
- C31H50O4
- Molmasse
- 486.73
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
1510-21-0- PubChem CID
- 500055
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 8,5
- Polarare Oberfläche (TPSA)
- 63,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 10
- Schwere Atome
- 35
- Formalladung
- 0
- Komplexität
- 815
Physikochemische Eigenschaften
- Schmelzpunkt
- 178 °C · 178 °C
- Siedepunkt
- 586 · 586.0±43.0 °C(Predicted)
- Dichte
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- Brechungsindex
- -34 ° · -34 ° (C=2, CHCl3)
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- Chloroform (Slightly), Methanol (Slightly, Heated, Sonicated)
- Aggregatzustand
- Solid
- pka
- 4.4 · 4.40±0.17(Predicted)
- Farbe
- White to Off-White
- Kosmetik-Inhaltsstoffe Funktionen
- SKIN CONDITIONINGSKIN CONDITIONING - EMOLLIENT
- InChIKey
- WLNARFZDISHUGS-BLYFUZNHSA-N
- SMILES
- [C@@]12([H])CC=C3C[C@@H](OC(=O)CCC(=O)O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])[C@H](C)CCCC(C)C |&1:0,6,17,19,23,25,28,30,r|
- LogP
- 10.708 · 10.708 (est)
- CAS Datenbank
- 1510 · 1510-21-0(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29171900
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
BeschreibungCholesteryl hemisuccinate is a cholesterol ester with anticancer activity. It inhibits the growth of murine C1498 myeloid and L1210 lymphocytic leukemia cells when used at concentrations of 50 and 150 μM, respectively. Cholesteryl hemisuccinate acts as an ionizable anionic detergent and is commonly used to stabilize unilamellar vesicles and liposomes. It has also been used as an emulsifying agent in various vesicular drug delivery systems for anticancer drugs, antibiotics, and oligonucleotides and to solubilize various proteins including chemokine receptor 1 as well as erythrocyte ghosts.
VerwendenCholesteryl Hemisuccinate is an oxidation product of polyunsaturated fatty acid of cholesterol that alters lysosome structure and functions and induces proinflammatory cytokine production in macrophages.
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