N-[(4-oxochromen-3-yl)methylideneamino]pyridine-3-carboxamide
Grundinformationen
- CAS
285986-31-4- Standard-SMILES
O=C(NN=Cc1coc2ccccc2c1=O)c1cccnc1- InChIKey
DAVIKTBRCQWOGT-UHFFFAOYSA-N- Summenformel
- C16H11N3O3
- Durchschnittliche Molmasse
- 293,28 g/mol
- Monoisotopische Masse
- 293,08004122
Namen und Bezeichner
- Bevorzugter Name
- N-[(4-oxochromen-3-yl)methylideneamino]pyridine-3-carboxamide
- IUPAC
- N-[(4-oxochromen-3-yl)methylideneamino]pyridine-3-carboxamide
- Englischer Name
- STAT5 Inhibitor
- Summenformel
- C16H11N3O3
- Molmasse
- 293.28
Namen und Synonyme
N-[(4-oxochromen-3-yl)methylideneamino]pyridine-3-carboxamideSCHEMBL2563929N'-[(E)-(4-oxo-4H-chromen-3-yl)methylidene]pyridine-3-carbohydrazideDTXSID9010347783-(nicotinoylhydrazonomethyl)chromoneS6784Q27159809N'-[(4-oxo-4H-1-benzopyran-3-yl)methylidene]pyridine-3-carbohydrazide3-Pyridinecarboxylic acid, 2-[(4-oxo-4H-1-benzopyran-3-yl)methylene]hydrazideMDK6314CS-2509STAT5-IN-1
Weitere Namen anzeigen
STAT5 InhibitorSTAT5 Inhibitor 1STAT5-IN-1 ，S6784STAT5-IN-1, 10 mM in DMSOStat5 Inhibitor(STAT5-IN-1)N'-[(4-oxo-4H-chromen-3-yl)methylene]nicotinohydrazideSTAT-5-IN-1,STAT5IN1,inhibit,STAT5 IN 1,Inhibitor,STAT
Datenbank-Bezeichner
- CAS
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,6
- Polarare Oberfläche (TPSA)
- 80,7 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 501
Physikochemische Eigenschaften
- Schmelzpunkt
- 214 · 214-216 °C
- Dichte
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C(protect from light)
- Löslichkeit
- 9.58 mg/mL · ≥9.58 mg/mL in DMSO; insoluble in EtOH; insoluble in H2O
- Aggregatzustand
- crystalline solid
- pka
- 10.44 · 10.44±0.46(Predicted)
- Farbe
- White to light yellow
- InChI
- InChI=1S/C16H11N3O3/c20-15-12(10-22-14-6-2-1-5-13(14)15)9-18-19-16(21)11-4-3-7-17-8-11/h1-10H,(H,19,21)
- InChIKey
- DAVIKTBRCQWOGT-UHFFFAOYSA-N
- SMILES
- C1=NC=CC=C1C(NN=CC1C(=O)C2=CC=CC=C2OC=1)=O
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
- WGK 3
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
BeschreibungSignal Transducers and Activators of Transcriptions (STATs) are a family of cytoplasmic latent transcription factors that are activated to regulate gene expression in response to a large number of extracellular signaling polypeptides including cytokines, interferons, and growth factors. STAT5, which consists of two isoforms STAT5α and STAT5β, is known to be overactive in several kinds of leukemias and various solid tumors. STAT5 Inhibitor is a cell-permeable, nonpetidic nicotinoyl hydrazone that suppresses STAT5 by targeting its SH2 domain (IC50 = 47 μM against STAT5β SH2 domain EPO peptide binding activity). Comparatively, this compound exhibits reduced potency towards inhibiting the SH2 domain of STAT1, STAT3, or Lck (IC50 > 500 μM). STAT5 Inhibitor has been shown to block STAT5/STAT5 DNA binding in K562 nuclear extracts.
Verwenden2-[(4-Oxo-4H-1-benzopyran-3-yl)methylene]hydrazide-3-pyridinecarboxylic Acid is a selective inhibitor of STAT5.
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