2,3-dihydro-N,N-dimethyl-2-oxo-3-((4,5,6,7-tetrahydro-1H-indol-2-yl)methylene)-1H-Indole-5-sulfonamide
Grundinformationen
- CAS
330161-87-0- Standard-SMILES
CN(C)S(=O)(=O)c1ccc2c(c1)C(=Cc1cc3c([nH]1)CCCC3)C(=O)N2- InChIKey
LOGJQOUIVKBFGH-UHFFFAOYSA-N- Summenformel
- C19H21N3O3S
- Durchschnittliche Molmasse
- 371,5 g/mol
- Monoisotopische Masse
- 371,13036271
Überblick
SU6656 is a member of the class of oxindoles that is 3-methyleneoxindole in which the hydrogeh at position 5 has been replaced by a dimethylaminosulfonyl group and in which one of the hydrogens of the methylene group has been replaced by a 4,5,6,7-tetrahydro-indol-2-yl group. It is a specific inhibitor of Src family kinase. It has a role as an antineoplastic agent, an Aurora kinase inhibitor and an EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor. It is a sulfonamide and a member of oxindoles.
Namen und Bezeichner
- Bevorzugter Name
- 2,3-dihydro-N,N-dimethyl-2-oxo-3-((4,5,6,7-tetrahydro-1H-indol-2-yl)methylene)-1H-Indole-5-sulfonamide
- IUPAC
- N,N-dimethyl-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indole-5-sulfonamide
- Englischer Name
- SU 6656
- Summenformel
- C19H21N3O3S
- Molmasse
- 371.45
Namen und Synonyme
330161-87-0DTXSID6010172262,3-Dihydro-N,N-dimethyl-2-oxo-3-[(4,5,6,7-tetrahydro-1H-indol-2-yl)methylene]-1H-indole-5-sulfonamideRefChem:244875DTXCID4014754762,3-dihydro-N,N-dimethyl-2-oxo-3-((4,5,6,7-tetrahydro-1H-indol-2-yl)methylene)-1H-Indole-5-sulfonamideN,N-dimethyl-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylene)indoline-5-sulfonamideN,N-dimethyl-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indole-5-sulfonamideorb1300275SCHEMBL1737451HMS3372L02N,N-dimethyl-2-oxo-3-[(4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-2,3-dihydro-1H-indole-5-sulfonamide
Weitere Namen anzeigen
CS-167212,13-DiHOMESU6656 ，S7774SU 6656SU-6656SU6656, 10 mM in DMSOSU6656 - CAS 330161-87-0 - CalbiochemN,N-diMethyl-2-oxo-3-((4,5,6,7-tetrahydro-1H-indol-2-yl)Methyl)indoline-5-sulfonaMideN,N-Dimethyl-2-oxo-3-((4,5,6,7-tetrahydro-1H-indol-2-yl)methylene)indoline-5-sulfonamide
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,1
- Polarare Oberfläche (TPSA)
- 90,7 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 697
Physikochemische Eigenschaften
- Dichte
- 1.378 · 1.378±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- Löslichkeit
- 12 mg/mL · DMSO: 12 mg/mL orange solution
- pka
- 11.87 · 11.87±0.20(Predicted)
- Aggregatzustand
- powder
- Farbe
- orange-brown
- InChI
- 1S/C19H21N3O3S/c1-22(2)26(24,25)14-7-8-18-15(11-14)16(19(23)21-18)10-13-9-12-5-3-4-6-17(12)20-13/h7-11,20H,3-6H2,1-2H3,(H,21,23)/b16-10-
- InChIKey
- LOGJQOUIVKBFGH-YBEGLDIGSA-N
- SMILES
- CN(C)S(=O)(=O)c1ccc2NC(=O)C(=C/c3cc4CCCCc4[nH]3)\c2c1
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
- 3
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
BeschreibungThe Src family of proto-oncogenic kinases include nine mammalian non-receptor tyrosine kinases that are involved in intracellular signaling and are often relevant to carcinogenesis. SU6656 is a selective inhibitor of Src kinases, Including Src, Yes, Lyn, and Fyn (IC50 = 280, 20, 130, 170 nM, respectively). It weakly inhibits some other kinases when used at >10 μM. SU6656 has been used to study the role of Src kinases in cell growth and development in diverse processes, including nervous system development, fibrosis, and cancer.
VerwendenSU 6656 is a small molecule selective inhibitor of the Src kinase family and induces caspase-independant cancer cell death.
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