Protopanaxadiol
Grundinformationen
- CAS
7755-01-3- Standard-SMILES
CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C- InChIKey
PYXFVCFISTUSOO-VUFVRDRTSA-N- Summenformel
- C30H52O3
- Durchschnittliche Molmasse
- 460,7 g/mol
- Monoisotopische Masse
- 460,39164552
Überblick
(20R)-protopanaxadiol is a diastereomer of protopanaxadiol in which the 20-hydroxy substituent has been introduced at the pro-R position.
Namen und Bezeichner
- Bevorzugter Name
- Protopanaxadiol
- IUPAC
- (3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol
- Englischer Name
- Protopanaxadiol
- Summenformel
- C30H52O3
- Molmasse
- 460.73
Namen und Synonyme
Protopanaxadiol7755-01-3DTXSID301028626P6717R7BP824-Dammarene-3beta,12beta-20S-triolDammar-24-ene-3,12,20-triol, (3beta,12beta,20R)-CHEBI:76238RefChem:870043dammar-24-ene-3beta, 6alpha, 12beta, 20-tetrol, (20s)-DTXCID10151421517-(2-hydroxy-6-methylhept-5-en-2-yl)-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta(a)phenanthrene-3,12-diol20(R)-Protopanaxadiol
Weitere Namen anzeigen
20R-Protopanaxadiol20R-BetulafolienetriolPROTOPANAXADIOL, (20R)-Protopanaxadiol USP/EP/BPPROTOVERATRINE A+B (RG)(CALL)(20R)-Protopanaxadiol (Standard)(20R)-Dammar-24-ene-3β,12β,20-triol(20R)-Protopanaxadiol, 10 mM in DMSO
(20R)-Protopanaxadiol(20R)-Protopanaxdiol20(R)ProtopanaxdiolMFCD01861516CHEMBL1669123(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol20(R)-ProtopanaxdiolCHEMBL28960
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 7,2
- Polarare Oberfläche (TPSA)
- 60,7 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 33
- Formalladung
- 0
- Komplexität
- 783
Experimentelle und physikochemische Eigenschaften
LipidsLipids -> Prenol Lipids [PR] -> Isoprenoids [PR01] -> C30 isoprenoids (triterpenes) [PR0106]
Physikochemische Eigenschaften
- Schmelzpunkt
- 244 · 244-245 °C(Solvent: Ethyl acetate)
- Siedepunkt
- 559.5 · 559.5±40.0 °C(Predicted)
- Dichte
- 1.036 · 1.036±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- Löslichkeit
- Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
- Aggregatzustand
- powder
- pka
- 14.96 · 14.96±0.70(Predicted)
- Farbe
- White
- LogP
- 7.59 · 7.590 (est)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Sicherheitsdaten
- Alarmwort
- Warnung
- Gefahrenhinweise
- Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302
Chemie und Industrie
Anwendungen
Beschreibung(20)R-Protopanaxadiol is a sapogenin that has been found in P. ginseng and has anticancer and antibacterial activities. It has a cytotoxic concentration (CC50) value of 6.1 μM in MT-4 human T cell leukemia cells and inhibits the growth of several additional cancer cell lines, including A549 human lung carcinoma, SKOV3 human ovarian adenocarcinoma, SK-Mel-2 human melanoma, P388 and L1210 murine leukemia, and K562 human chronic leukemia cells (ED50s = 11-26 μM). (20)R-protopanaxadiol also inhibits the growth of H. pylori in vitro (MICs = 50-100 μg/ml).
Verwenden20(R)-Protopanaxdiol is a saponin ginsenoside which is a signature phytochemical of Ginseng, an herbaceous plant. Anti-cancer agent.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
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国药集团化学试剂有限公司86-21-63210123 · [email protected]
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南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
成都普瑞法科技开发有限公司+86-028-82633397 18982077548 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
銘瑞集團有限公司17318633522 · [email protected]
上海纯优生物科技有限公司15921393123 18302135232 · [email protected]
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