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Grundinformationen
- Standard-SMILES
Nc1nccc(-c2ccc3noc(-c4ccc(Cl)cc4)c3c2)n1- InChIKey
AQVFETGXIRKVAQ-UHFFFAOYSA-N- Summenformel
- C17H11ClN4O
- Durchschnittliche Molmasse
- 322,755 g/mol
- Monoisotopische Masse
- 322,06213865
Namen und Bezeichner
- Bevorzugter Name
- PIM-1 INHIBITOR 2
- IUPAC
- 4-[3-(4-Chlorophenyl)-2,1-benzoxazol-5-yl]pyrimidin-2-amine
- Englischer Name
- 4-[3-(4-Chlorophenyl)-2,1-benzisoxazol-5-yl]-2-pyrimidinamine
- Summenformel
- C17H11ClN4O
- Molmasse
- 322.75
Namen und Synonyme
PIM-1 InhibitorPIM-1 Inhibitor 2PIM1 Kinase Inhibitor IVPIM1 Inhibitor 2,PIM 1 Inhibitor 24-(3-(4-chlorophenyl)benzo[c]isoxazol-5-yl)pyrimidin-2-amine4-[3-(4-Chlorophenyl)-2,1-benzisoxazol-5-yl]-2-pyrimidinamine2-Pyrimidinamine, 4-[3-(4-chlorophenyl)-2,1-benzisoxazol-5-yl]-
Datenbank-Bezeichner
- CAS
477845-12-8- PubChem CID
- 2765355
- DTXSID
DTXSID30377550- ChEMBL
CHEMBL409038- UNII
- QJ8ZMA6BSL
Eigenschaften
Physikochemische Eigenschaften
- Siedepunkt
- 627.1 · 627.1±65.0 °C(Predicted)
- Dichte
- 1.398 · 1.398±0.06 g/cm3(Predicted)
- storage temp.
- 4 °C · Store at +4°C
- Löslichkeit
- 75 mM · Soluble to 75 mM in DMSO
- Aggregatzustand
- Yellow solid
- pka
- 2.98 · 2.98±0.10(Predicted)
- Farbe
- Light yellow to yellow
Chemie und Industrie
Anwendungen
VerwendenPim-1 is a serine/threonine kinase that targets proteins involved in cell survival and proliferation and has roles in tumorigenesis. Pim-1 inhibitor 2 is a potent Pim-1 inhibitor (Ki = 91 nM) that targets the ATP-binding kinase hinge region.[Cayman Chemical]
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