BAY-598(S-isomer)
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- CAS-Nr.
- 1906919-67-2
- Englisch Name:
- BAY-598(S-isomer)
- Synonyma:
- CS-2678;CPD1616;BAY-598;(S)-BAY-598;BAY-598
(BAY598;BAY-598(S-isomer);BAY-598,Inhibitor,BAY598,inhibit,Histone Methyltransferase,BAY 598;(S)-N-(1-(N-Cyano-N'-(3-(difluoromethoxy)phenyl)carbamimidoyl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl)-N-ethyl-2-hydroxyacetamide;(S)-N-(1-(N-Cyano-N'-(3-(difluoromethoxy)phenyl)carbamimidoyl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl)-N-ethyl-2-hydroxyacetamide;N-[(4S)-1-[(Cyanoamino)[[3-(difluoromethoxy)phenyl]imino]methyl]-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]-N-ethyl-2-hydroxyacetamide
- CBNumber:
- CB73364108
- Summenformel:
- C22H20Cl2F2N6O3
- Molgewicht:
- 525.34
- MOL-Datei:
- 1906919-67-2.mol
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BAY-598(S-isomer) Eigenschaften
- Siedepunkt:
- 663.5±65.0 °C(Predicted)
- Dichte
- 1.46±0.1 g/cm3(Predicted)
- storage temp.
- 2-8°C
- Löslichkeit
- DMSO:69.18(Max Conc. mg/mL);131.69(Max Conc. mM)
DMF:30.0(Max Conc. mg/mL);57.11(Max Conc. mM)
Ethanol:30.0(Max Conc. mg/mL);57.11(Max Conc. mM)
- Aggregatzustand
- powder
- pka
- 13.34±0.10(Predicted)
- Farbe
- white to beige
- Optische Aktivität
- [α]/D -85 to -95°, c = 1 in methanol
Sicherheit
- Risiko- und Sicherheitserklärung
- Gefahreninformationscode (GHS)
| Bildanzeige (GHS) |
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| Alarmwort |
Warnung |
| Gefahrenhinweise |
| Code |
Gefahrenhinweise |
Gefahrenklasse |
Abteilung |
Alarmwort |
Symbol |
P-Code |
| H302 |
Gesundheitsschädlich bei Verschlucken. |
Akute Toxizität oral |
Kategorie 4 |
Warnung |
![GHS hazard pictograms]() src="/GHS07.jpg" width="20" height="20" /> |
P264, P270, P301+P312, P330, P501 |
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BAY-598(S-isomer) Chemische Eigenschaften,Einsatz,Produktion Methoden
Verwenden
BAY-598 is an aminopyrazoline-based novel substrate-competitive inhibitor of protein lysine methyltransferase SMYD2 that serves as potent and selective in vivo probe for SMYD2.
Biochem/physiol Actions
BAY-598 is a potent, peptide-competitive chemical probe for SET and MYND domain-containing protein 2 (SMYD2), a lysine methyl transferase inhibitor that dimethylates histone H3K36 and methylates histone H3K4. SMYD2 also methylates Lys-370 of p53, leading to decreased DNA-binding activity. SMYD2 is over-expressed in several cancers with poor prognosis. BAY-598 inhibits in vitro methylation of p53K370 with an IC50 value of 27 nM and in cells with an IC50 value < 1 μM. BAY-598 is more than 100-fold selective over other histone methyltransferases and non-epigenetic targets. BAY-598 can be used with in vivo experiments. For full characterization details, please visit the BAY-598 probe summary on the Structural Genomics Consortium (SGC) website.BAY-369 is the negative control for the active probe, BAY-598. To request a sample of the negative control from the SGC, click here.To learn about other SGC chemical probes for epigenetic targets, visit sigma.com/sgc
BAY-598(S-isomer) Upstream-Materialien And Downstream Produkte
Upstream-Materialien
Downstream Produkte
BAY-598(S-isomer) Anbieter Lieferant Produzent Hersteller Vertrieb Händler.
Global( 51)Lieferanten
- BAY-598
- CPD1616
- CS-2678
- N-[(4S)-1-[(Cyanoamino)[[3-(difluoromethoxy)phenyl]imino]methyl]-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]-N-ethyl-2-hydroxyacetamide
- BAY-598
(BAY598
- (S)-BAY-598
- (S,E)-N-(1-(N'-cyano-N-(3-(difluoromethoxy)phenyl)carbamimidoyl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl)-N-ethyl-2-hydroxyacetamide
- Acetamide, N-[(4S)-1-[(cyanoamino)[[3-(difluoromethoxy)phenyl]imino]methyl]-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl]-N-ethyl-2-hydroxy-
- BAY-598(S-isomer)
- BAY-598,Inhibitor,BAY598,inhibit,Histone Methyltransferase,BAY 598
- (S)-N-(1-(N-Cyano-N'-(3-(difluoromethoxy)phenyl)carbamimidoyl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl)-N-ethyl-2-hydroxyacetamide
- (S)-N-(1-(N-Cyano-N'-(3-(difluoromethoxy)phenyl)carbamimidoyl)-3-(3,4-dichlorophenyl)-4,5-dihydro-1H-pyrazol-4-yl)-N-ethyl-2-hydroxyacetamide
- 1906919-67-2
- 906919-67-2
- C22H20Cl2F2N6O3
