3beta-(2-Diethylaminoethoxy)androst-5-en-17-one hydrochloride
Grundinformationen
- CAS
3039-71-2- Standard-SMILES
CCN(CC)CCO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]32)C1.Cl- InChIKey
GZFYZYBWLCYBMI-MYZJJQSMSA-N- Summenformel
- C25H42ClNO2
- Durchschnittliche Molmasse
- 424,1 g/mol
- Monoisotopische Masse
- 423,2904073
Überblick
3beta-(2-diethylaminoethoxy)androst-5-en-17-one hydrochloride is a hydrochloride obtained by reaction of 3beta-(2-diethylaminoethoxy)androst-5-en-17-one with one equivalent of hydrochloric acid. It is a cholesterol synthesis and transport inhibitor. It has a role as a Hedgehog signaling pathway inhibitor, an antiviral agent, a nicotinic antagonist, an EC 1.3.1.72 (Delta(24)-sterol reductase) inhibitor and a sterol biosynthesis inhibitor. It contains a 3beta-(2-diethylaminoethoxy)androst-5-en-17-one(1+).
Namen und Bezeichner
- Bevorzugter Name
- 3beta-(2-Diethylaminoethoxy)androst-5-en-17-one hydrochloride
- IUPAC
- (3S,8R,9S,10R,13S,14S)-3-[2-(diethylamino)ethoxy]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one;hydrochloride
- Englischer Name
- U 18666A
- Summenformel
- C25H41NO2.ClH
- Molmasse
- 424.06
Namen und Synonyme
3039-71-2U-18666A3beta-(2-Diethylaminoethoxy)androst-5-en-17-one hydrochlorideDTXSID3046904NSC-70801V0DPR5J8ZJU 18,666AU-18,666A3-beta-(2-(Diethylamino)ethoxy)androst-5-en-17-oneDTXCID1026904CHEBI:190404Androst-5-en-17-one, 3beta-(2-(diethylamino)ethoxy)-, hydrochloride
Weitere Namen anzeigen
U18666A,HClU18666A, 10 mM in DMSOU18666A - CAS 3039-71-2 - CalbiochemU-18666A, cholesterol transport inhibitor3BETA-(2-DIETHYLAMINOETHOXY)-ANDROSTENONE HCL3BETA-(2-DIETHYLAMINOETHOXY)ANDROST-5-EN-17 ONE, HCL3BETA-(2-DIETHYLAMINO-ETHOXY)ANDROSTENONE HYDROCHLORIDE3β-(2-Diethylaminoethoxy)androst-5-en-17-one hydrochloride(3β)-3-[2-(Diethylamino)ethoxy]androst-5-en-17-onehydrochloride
RefChem:9116773-beta-2-diethylaminoethoxyandrost-5-en-17-oneU 18666AU18666ANSC 70801(3S,8R,9S,10R,13S,14S)-3-[2-(diethylamino)ethoxy]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one;hydrochlorideUNII-V0DPR5J8ZJNCGC00181332-01
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 29,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 29
- Formalladung
- 0
- Komplexität
- 624
Physikochemische Eigenschaften
- Schmelzpunkt
- 195 · 195-196.5 °C(lit.)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 2 O: · H2O: 9 mg/mL at ≤60 °C
- Aggregatzustand
- crystalline
- Farbe
- white
- Wasserlöslichkeit
- 10 mg/ml · Soluble in water at 10mg/ml
- Stabilität
- 2 years · Stable for 2 years from date of purchase as supplied. Solutions in DMSO or distilled water may be stored at -20°C for up to 1 week.
- InChI
- 1S/C25H41NO2.ClH/c1-5-26(6-2)15-16-28-19-9-7-18-8-10-20-21-11-12-23(27)24(21,3)14-13-22(20)25(18,4)17-19;/h8,19-22H,5-7,9-17H2,1-4H3;1H
- InChIKey
- ICPRVJHNLABCSA-UHFFFAOYSA-N
- SMILES
- [Cl-].N(CCOC1CC2(C3C(C4C(CC3)(C(=O)CC4)C)CC=C2CC1)C)(CC)CC.[H+]
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- 3
- safety_code
- 22-24/25
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Substances used to lower plasma CHOLESTEROL levels.
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Anwendungen
VerwendenU 18666A is a cell-permeable amphiphilic amino-steroid.
Anbieter50 Anbieter
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