Sgx-523
Grundinformationen
- CAS
1022150-57-7- Standard-SMILES
Cn1cc(-c2ccc3nnc(Sc4ccc5ncccc5c4)n3n2)cn1- InChIKey
BCZUAADEACICHN-UHFFFAOYSA-N- Summenformel
- C18H13N7S
- Durchschnittliche Molmasse
- 359,4 g/mol
- Monoisotopische Masse
- 359,09531442
Überblick
SGX-523 is a member of the class of triazolopyridazines that is 6-(1-methylpyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazine-3-thiol in which the thiol hydrogen is replaced by a quinolin-6-yl group. It has a role as a nephrotoxic agent and a c-Met tyrosine kinase inhibitor. It is a member of pyrazoles, a member of quinolines, an aryl sulfide, a triazolopyridazine and a biaryl.
Namen und Bezeichner
- Bevorzugter Name
- Sgx-523
- IUPAC
- 6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinoline
- Englischer Name
- SGX-523
- Summenformel
- C18H13N7S
- Molmasse
- 359.41
Namen und Synonyme
SGX-5231022150-57-7SGX523WH8SQN09KJ6-{[6-(1-methyl-1H-pyrazol-4-yl)[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinolineCHEBI:90624Quinoline, 6-((6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo(4,3-b)pyridazin-3-yl)thio)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[5,4-f]pyridazin-3-yl]sulfanyl]quinoline6-{[6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl}quinoline6-((6-(1-methyl-1H-pyrazol-4-yl)(1,2,4)triazolo(4,3-b)pyridazin-3-yl)sulfanyl)quinoline6-((6-(1-methylpyrazol-4-yl)-(1,2,4)triazolo(5,4-f)pyridazin-3-yl)sulfanyl)quinolineQuinoline, 6-[[6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo[4,3-b]pyridazin-3-yl]thio]-
Weitere Namen anzeigen
X-523CS-331α-NeurokininSGX-523, >=98%SGX 523(SGX-523)SGX-523 USP/EP/BPSGX-523, 10 mM in DMSOMet Kinase Inhibitor VI, SGX523
6-((6-(1-methyl-1H-pyrazol-4-yl)-(1,2,4)triazolo(4,3-b)pyridazin-3-yl)sulfanyl)quinolineRefChem:884969MET TYROSINE KINASE INHIBITOR SGX523SGX 5236-(6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-ylthio)quinoline6-((6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)thio)quinoline6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinolineMFCD16660190
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 99,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 26
- Formalladung
- 0
- Komplexität
- 494
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
Physikochemische Eigenschaften
- Dichte
- 1.485 · 1.485
- storage temp.
- -20 °C · Store at -20°C
- Löslichkeit
- 17.95 mg/mL · ≥17.95 mg/mL in DMSO
- Aggregatzustand
- solid
- pka
- 3.94 · 3.94±0.10(Predicted)
- Farbe
- Light yellow to yellow
- InChI
- InChI=1S/C18H13N7S/c1-24-11-13(10-20-24)16-6-7-17-21-22-18(25(17)23-16)26-14-4-5-15-12(9-14)3-2-8-19-15/h2-11H,1H3
- InChIKey
- BCZUAADEACICHN-UHFFFAOYSA-N
- SMILES
- N1C2C(=CC(SC3N4C(=NN=3)C=CC(C3=CN(C)N=C3)=N4)=CC=2)C=CC=1
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 2
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Pharmakologische Informationen
Mechanism of Action
SGX523 is selective inhibitor of the receptor tyrosine kinase MET. MET is implicated in development and progression of cancer. SGX523 ihibits MET autophosphorylation and signalling, as well as activates cysteine-aspartic acid protease 3 (caspase 3), an enzyme which is part of the apoptosis signalling cascade.
Anwendungen
VerwendenSGX523 is a novel, ATP-competitive kinase inhibitor.
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