N-hydroxy-2-(1-methyl-1H-pyrrole-2-carbonyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
Grundinformationen
- CAS
1259296-46-2- Standard-SMILES
Cn1cccc1C(=O)N1CCc2cc(C(=O)NO)ccc2C1- InChIKey
NNQAQGDSGCGFER-UHFFFAOYSA-N- Summenformel
- C16H17N3O3
- Durchschnittliche Molmasse
- 299,32 g/mol
- Monoisotopische Masse
- 299,12699141
Namen und Bezeichner
- Bevorzugter Name
- N-hydroxy-2-(1-methyl-1H-pyrrole-2-carbonyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
- IUPAC
- N-hydroxy-2-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carboxamide
- Englischer Name
- MPI_5a
- Summenformel
- C16H17N3O3
- Molmasse
- 299.32
Namen und Synonyme
1259296-46-2MPI_5aMPI-5aN-hydroxy-2-(1-methyl-1H-pyrrole-2-carbonyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxamideN-hydroxy-2-(1-methylpyrrole-2-carbonyl)-3,4-dihydro-1H-isoquinoline-6-carboxamideCHEMBL24319011,2,3,4-Tetrahydro-N-hydroxy-2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-6-isoquinolinecarboxamideNNQAQGDSGCGFER-UHFFFAOYSA-NMFCD29770783MPI5AMPI 5AMPI-5a?
Weitere Namen anzeigen
CS-2662MPI_5a,Histone deacetylases,tubulin,acyl,Inhibitor,selective,HDAC,accumulation,inhibit,isoform6-Isoquinolinecarboxamide, 1,2,3,4-tetrahydro-N-hydroxy-2-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-
SCHEMBL722256orb1308015orb1940710MPI_5a, 10 mM in DMSODTXSID001352012GLXC-15810EX-A1852BDBM50440907
Datenbank-Bezeichner
- CAS
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,8
- Polarare Oberfläche (TPSA)
- 74,6 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 22
- Formalladung
- 0
- Komplexität
- 442
Physikochemische Eigenschaften
- Dichte
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- 30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; Ethanol: 30 mg/ml
- Aggregatzustand
- Liquid
- pka
- 8.92 · 8.92±0.23(Predicted)
- Farbe
- Colorless to light yellow
Chemie und Industrie
Anwendungen
VerwendenHDAC6 Inhibitor is a potent and selective inhibitor of HDAC6 that poorly blocks other HDAC enzymes. HDAC6 is a predominantly cytoplasmic enzyme that targets α-tubulin, cortactin, and heat shock protein 90, as well as other substrates.
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