Galeterone
Grundinformationen
- CAS
851983-85-2- Standard-SMILES
C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3cnc4ccccc43)=CC[C@@H]12- InChIKey
PAFKTGFSEFKSQG-PAASFTFBSA-N- Summenformel
- C26H32N2O
- Durchschnittliche Molmasse
- 388,5 g/mol
- Monoisotopische Masse
- 388,25146364
Überblick
Galeterone is a 3-hydroxy steroid. It has a role as an androgen.
Namen und Bezeichner
- Bevorzugter Name
- Galeterone
- IUPAC
- (3S,8R,9S,10R,13S,14S)-17-(benzimidazol-1-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
- Englischer Name
- Galeterone
- Summenformel
- C26H32N2O
- Molmasse
- 388.55
Namen und Synonyme
Galeterone851983-85-2TOK-001TOK 001VN/124-1galeteronaVN/124(3S,8R,9S,10R,13S,14S)-17-(benzimidazol-1-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-olWA33E149SWVN 124VN-1243-hydroxy-17-(1H-benzimidazole-1-yl)androsta-5,16-diene
Weitere Namen anzeigen
CS-232NX41765Galateronesynthesis-008synthesis-1-007TOK-001 impurity
DTXSID10102560217-(1H-Benzimidazol-1-yl)androsta-5,16-dien-3beta-olAndrosta-5,16-dien-3-ol, 17-(1H-benzimidazol-1-yl)-, (3beta)-galeteronum(3S,8R,9S,10R,13S,14S)-17-(benzimidazol-1-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta(a)phenanthren-3-olRefChem:142163DTXCID801509865Specific Androgen Receptor Modulator/CYP17 Lyase Inhibitor TOK-001
Datenbank-Bezeichner
- CAS
851983-85-2- PubChem CID
- 11188409
- DTXSID
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,2
- Polarare Oberfläche (TPSA)
- 38,1 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 29
- Formalladung
- 0
- Komplexität
- 743
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Physikochemische Eigenschaften
- Schmelzpunkt
- 189 · 189-190℃
- Siedepunkt
- 564.5 · 564.5±60.0 °C(Predicted)
- Dichte
- 1.28 · 1.28
- storage temp.
- -20 °C · -20°C Freezer
- Löslichkeit
- Chloroform (Slightly), Ethyl Aceatae (Slightly, Heated)
- pka
- 14.71 · 14.71±0.70(Predicted)
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- InChIKey
- PAFKTGFSEFKSQG-MRFMOSGMNA-N
- SMILES
- C1C[C@]2(C)C3CC[C@]4(C)C([n]5cnc6ccccc56)=CCC4C3CC=C2C[C@H]1O |&1:2,7,27,r|
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
H361 (50%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesRepr. 2 (50%)
Sicherheitsdaten
- wgk
- WGK 3
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Anwendungen
BeschreibungGaleterone (TOK-001) is a small molecule oral drug that disrupts AR signaling by a novel triple mechanism: it potently and selectively inhibits CYP17 lyase, potently antagonizes AR and decreases AR protein levels (wild-type and mutant), leading to antitumor activity. Galeterone has shown significant anti-tumour activity with a well-tolerated safety profile in patients with CRPC in phase I and II clinical studies.
VerwendenGaleterone is an androgen receptor antagonist and CYP17A1 enzyme inhibitor. It has been used in trials studying the treatment of Prostate Cancer.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
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上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
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