CAS 174634-08-3 TAS-103 free base (HCID 135413533)

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Grundinformationen

CAS: 174634-08-3
Standard-SMILES: CN(C)CCNc1nc2cc(O)ccc2c2c1C(=O)c1ccccc1-2
InChIKey: ROWSTIYZUWEOMM-UHFFFAOYSA-N
Summenformel: C20H19N3O2
Durchschnittliche Molmasse: 333,4 g/mol

Überblick

inhibits topoisomerase I and topoisomerase II; structure in first source

Namen und Bezeichner

Bevorzugter Name: TAS-103 free base
IUPAC: 6-[2-(dimethylamino)ethylamino]-3-hydroxyindeno[2,1-c]quinolin-7-one
Englischer Name: TAS-103
Summenformel: C20H19N3O2
Molmasse: 333.38

Namen und Synonyme

174634-08-3TAS-103 free baseJ812.866IYVC96489QV3-Hydroxy-6-((2-(dimethylamino)ethyl)amino)-7H-indeno(2,1-C)quinolin-7-one7H-Indeno(2,1-C)quinolin-7-one, 6-((2-(dimethylamino)ethyl)amino)-3-hydroxy-RefChem:1990376-((2-(dimethylamino)ethyl)amino)-3-hydroxy-7h-indeno(2,1-c)quinolin-7-oneCHEMBL4887556-[2-(dimethylamino)ethylamino]-5H-indeno[2,1-c]quinoline-3,7-dioneTAS-103 dihydrochlorideCID 177285

Weitere Namen anzeigen

TAS 103CS-1287BMS-247615TAS-103 HC1TAS-103 baseTAS-103(salt)TA103(bms-247615)6-[[2-(Dimethylamino)ethyl]amino]-3-hydroxy-7H-indeno[2,1-c]quinolin-7-one7H-Indeno[2,1-c]quinolin-7-one, 6-[[2-(dimethylamino)ethyl]amino]-3-hydroxy-

UNII-YVC96489QVA1IUVSCHEMBL30479orb1693527SCHEMBL29372771ROWSTIYZUWEOMM-UHFFFAOYSA-NZGA63408BDBM50610582

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,9
Polarare Oberfläche (TPSA): 65,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 5
Frei drehbare Bindungen: 4
Schwere Atome: 25
Formalladung: 0
Komplexität: 497

Physikochemische Eigenschaften

Schmelzpunkt: 216 · 216-217 °C(Solv: ethanol (64-17-5))
Siedepunkt: 589.5 · 589.5±50.0 °C(Predicted)
Dichte: 1.35 · 1.350±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Store at -20°C
Löslichkeit: Soluble in DMSO
pka: 7.88 · 7.88±0.20(Predicted)

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 2 Einträge

Compounds that inhibit the activity of DNA TOPOISOMERASE I.

Compounds that inhibit the activity of DNA TOPOISOMERASE II. Included in this category are a variety of ANTINEOPLASTIC AGENTS which target the eukaryotic form of topoisomerase II and ANTIBACTERIAL AGENTS which target the prokaryotic form of topoisomerase II.