2,6-dichloro-9-methyl-9H-purine

HCID 1712553

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Grundinformationen

CAS: 2382-10-7
Standard-SMILES: Cn1cnc2c(Cl)nc(Cl)nc21
InChIKey: HWMJNDVUIMQFEW-UHFFFAOYSA-N
Summenformel: C6H4Cl2N4
Durchschnittliche Molmasse: 203,03 g/mol
Monoisotopische Masse: 201,98130149

Namen und Bezeichner

Bevorzugter Name: 2,6-dichloro-9-methyl-9H-purine
IUPAC: 2,6-dichloro-9-methylpurine
Englischer Name: 2,6-DICHLORO-9-METHYL-9H-PURINE
Summenformel: C6H4Cl2N4
Molmasse: 203.03

Namen und Synonyme

2,6-dichloro-9-methyl-9H-purine2382-10-7DTXSID30364849RefChem:248273DTXCID30315891811-974-92,6-dichloro-9-methylpurineMFCD002787789H-Purine, 2,6-dichloro-9-methyl-SCHEMBL183035AKOS015902201AB05912

Weitere Namen anzeigen

9-Methyl-2,6-dichloropurine2,6-dichloro-9-methyl-1H-purine2,6-dichloro-9-methyl-9H-purine176328Hexanoicacid,5-methyl-5-oxo-,ethylester

GS-3812SY008423Z1269241610AM200902612,6-dichloro-9-methyl-purineSCHEMBL294262259-methyl-2,6-dichloro-9H-purineSBB093038

Datenbank-Bezeichner

CAS: 2382-10-7
PubChem CID: 1712553
DTXSID: DTXSID30364849
EC Number: 811-974-9
Nikkaji: J2.014.003H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 43,6 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 179

Physikochemische Eigenschaften

Schmelzpunkt: 152 · 152-153℃
Siedepunkt: 307.2 · 307.2±52.0 °C(Predicted)
Dichte: 1.76 · 1.76
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: -0.9 · -0.90±0.10(Predicted)
InChI: InChI=1S/C6H4Cl2N4/c1-12-2-9-3-4(7)10-6(8)11-5(3)12/h2H,1H3
InChIKey: HWMJNDVUIMQFEW-UHFFFAOYSA-N
SMILES: N1C2C(=NC(Cl)=NC=2Cl)N(C)C=1
CAS Datenbank: 2382 · 2382-10-7

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, P273, 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

hs_code: 2933599590
risk_code: 22
hazard_code: Xn

Chemie und Industrie

Anwendungen

Verwenden2,6-DICHLORO-9-METHYLPURINE acts as a reagent in the synthesis of highly selective inhibitors of PI3K-δ used in the treatment of inflammatory diseases such as leukocyte related illnesses.