(R)-2-Chloro-7-ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydropyrimido[4,5-b]pyrazine

HCID 58405561

Notizen Reaktionen

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

CAS: 877676-50-1
Standard-SMILES: CC[C@@H]1C(=O)N(C)c2cnc(Cl)nc2N1C(C)C
InChIKey: RKXHCGYXHHPYHQ-MRVPVSSYSA-N
Summenformel: C12H17ClN4O
Durchschnittliche Molmasse: 268,74 g/mol

Namen und Bezeichner

Bevorzugter Name: (R)-2-Chloro-7-ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydropyrimido[4,5-b]pyrazine
IUPAC: (7R)-2-chloro-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-one
Englischer Name: (R)-2-chloro-7-ethyl-8-isopropyl-5-methyl-7,8-dihydropteridin-6(5H)-one
Summenformel: C12H17ClN4O
Molmasse: 268.74

Namen und Synonyme

877676-50-1(R)-2-Chloro-7-ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydropyrimido(4,5-b)pyrazine(R)-2-Chloro-7-ethyl-8-isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydropyrimido[4,5-b]pyrazineRefChem:407213807-904-1(R)-2-Chloro-7-ethyl-8-isopropyl-5-methyl-7,8-dihydropteridin-6(5H)-oneMFCD16621126(7R)-2-CHLORO-7-ETHYL-7,8-DIHYDRO-5-METHYL-8-(1-METHYLETHYL)-6(5H)-PTERIDINONE(7R)-2-chloro-7-ethyl-5-methyl-8-propan-2-yl-7H-pteridin-6-oneTQ0268AKOS022172475(7R)-2-chloro-7-ethyl-8-isopropyl-5-methyl-7H-pteridin-6-one

Weitere Namen anzeigen

2-Chloro-7-ethyl-8-isopropyl-5-Methyl-7,8-dihydro-5H-pteridin-6-one6(5H)-Pteridinone, 2-chloro-7-ethyl-7,8-dihydro-5-Methyl-8-(1-Methylethyl)-, (7R)-

(7R)-2-chloro-7-ethyl-5-methyl-8-(propan-2-yl)-5,6,7,8-tetrahydropteridin-6-oneSCHEMBL736973SCHEMBL30738763(R)-2-chloro-7-ethyl-8-isopropyl-5-methyl-7,8-dihydro-5H-pteridin-6-oneDS-5905SY290750DB-299928CS-0053118

Datenbank-Bezeichner

CAS: 877676-50-1
PubChem CID: 58405561
EC Number: 807-904-1

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,5
Polarare Oberfläche (TPSA): 49,3 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 2
Schwere Atome: 18
Formalladung: 0
Komplexität: 325

Physikochemische Eigenschaften

Siedepunkt: 492.1 · 492.1±40.0 °C(Predicted)
Dichte: 1.205 · 1.205
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 1.48 · 1.48±0.40(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Sicherheitsdaten

Alarmwort: Warnung
Gefahrenhinweise: Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden(R)-2-Chloro-7-ethyl-8-isopropyl-5-methyl-7,8-dihydropteridin-6(5H)-one is a compound that has been involved in the preparation of selective and brain-permeable polo-like kinase-2 (Plk-2) inhibitors that reduce α-synuclein phosphorylation in rat brain.