1,4-Bis[(p-hydroxyphenethyl)amino]-anthraquinone Struktur

1,4-Bis[(p-hydroxyphenethyl)amino]-anthraquinone

Bezeichnung:1,4-Bis[(p-hydroxyphenethyl)amino]-anthraquinone

CAS-Nr96969-83-4

Englisch Name:1,4-Bis[(p-hydroxyphenethyl)amino]-anthraquinone

CBNumberCB52092329

SummenformelC30H26N2O4

Molgewicht478.54

MOL-Datei96969-83-4.mol

1,4-Bis[(p-hydroxyphenethyl)amino]-anthraquinone physikalisch-chemischer Eigenschaften

Siedepunkt	780.2±60.0 °C(Predicted)
Dichte	1.370±0.06 g/cm3(Predicted)
storage temp.	Room temp
Löslichkeit	DMSO: ≥10mg/mL
pka	9.76±0.15(Predicted)
Aggregatzustand	solid
Farbe	violet

Sicherheit

Kennzeichnung gefährlicher	N
R-Sätze:	50/53
S-Sätze:	60-61
RIDADR	UN 3077 9/PG 3
WGK Germany	3

Gefahreninformationscode (GHS)

1,4-Bis[(p-hydroxyphenethyl)amino]-anthraquinone Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R50/53:Sehr giftig für Wasserorganismen, kann in Gewässern längerfristig schädliche Wirkungen haben.
S-Sätze Betriebsanweisung:
S60:Dieses Produkt und sein Behälter sind als gefährlicher Abfall zu entsorgen.
S61:Freisetzung in die Umwelt vermeiden. Besondere Anweisungen einholen/Sicherheitsdatenblatt zu Rate ziehen.
Beschreibung
Human sirtuin 2 (SIRT2) is a NAD⁺-dependent protein deacetylase with diverse targets, including α-tubulin, phosphoenolpyruvate carboxykinase, and forkhead box protein O1. JFD00244 is an inhibitor of SIRT2 (IC₅₀= 56.7 μM). At 5 μM, JFD00244 induces granulocytic differentiation in the acute promyelocytic leukemia cell line NB4.
Verwenden
BML-266 is an inhibitor of SIRT2.
Definition
ChEBI: 1,4-bis[2-(4-hydroxyphenyl)ethylamino]anthracene-9,10-dione is an anthraquinone.
in vitro
in a previou study, the molecular modeling and virtual screening were utilized to identify potential compounds, which were then subjected to experimental tests for their sirt2 inhibitory activity. five of the 15 tested compounds including jfd00244 displayed inhibitory activity toward sirt2, resulting in a hit ratio of 33% in a micromolar level. jfd00244 and another analog of the five compounds yielded in vitro ic(50) values of 56.7 and 74.3 microm, respectively. on the basis of these results, a phenol moiety on the active compounds including jfd00244 was suggested to be critical for sirt2 inhibitory activity. this phenol group, together with a hydrophobic moiety and hydrogen-bonding features, was thus recommended to form an active sirt2 pharmacophore [1].
IC 50
56.7 μm
Einzelnachweise
[1] tervo aj, kyrylenko s, niskanen p, salminen a, leppnen j, nyrnen th, jrvinen t, poso a. an in silico approach to discovering novel inhibitors of human sirtuin type 2. j med chem. 2004 dec 2;47(25):6292-8.

1,4-Bis[(p-hydroxyphenethyl)amino]-anthraquinone Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

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