Cycloguanil

HCID 9049CAS 516-21-2
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Grundinformationen

Standard-SMILES
CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1
InChIKey
QMNFFXRFOJIOKZ-UHFFFAOYSA-N
Summenformel
C11H14ClN5
Durchschnittliche Molmasse
251,71 g/mol
Monoisotopische Masse
251,09377313

Überblick

Cycloguanil is a triazine in which a 1,6-dihydro-1,3,5-triazine ring is substituted at N-1 by a 4-chlorophenyl group, at C-2 and -4 by amino groups and at C-6 by gem-dimethyl groups. A dihydrofolate reductase inhibitor, it is a metabolite of the antimalarial drug proguanil. It has a role as an antiinfective agent, an antiparasitic agent, an antiprotozoal drug, an antimalarial, an EC 1.5.1.3 (dihydrofolate reductase) inhibitor and an antifolate.

Namen und Bezeichner

Bevorzugter Name
Cycloguanil
IUPAC
1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Englischer Name
Cycloguanil
Summenformel
C11H14ClN5
Molmasse
251.72

Namen und Synonyme

Cycloguanil516-21-2CycloguanylChlorguanide triazine1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamineWR 54731-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamineBN241026RM326WVN1-(p-Chlorophenyl)-4,6-diamino-2,2-dimethyl-1,2-dihydro-s-triazineDTXSID9022867CHEBI:135029
Weitere Namen anzeigen
WR-5473ChlorazinAids007020Aids-007020Cycloguanil-d6Cycloguanil HClCYCLOCHLOROGUANIDE
cycloquanilRefChem:129488DTXCID4028671-(4-chlorophenyl)-1,6-dihydro-6,6-dimethyl-1,2,5-triazine-2,4-diamineChlorcycloguanilCHEMBL7471-(4-Chlorophenyl)-1,6-dihydro-6,6-dimethyl-1,3,5-triazine-2,4-diamineCYCLOGUANIL [WHO-DD]

Datenbank-Bezeichner

CAS
516-21-2
PubChem CID
9049
DTXSID
DTXSID9022867
ChEMBL
CHEMBL747、CHEMBL92583
ChEBI
CHEBI:135029
UNII
26RM326WVN
Nikkaji
J6.306A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1
Polarare Oberfläche (TPSA)
80 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
1
Schwere Atome
17

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Metabolite of Proguanil

Physikochemische Eigenschaften

Schmelzpunkt
146 ° · 146°
Siedepunkt
397.13 °C · 397.13°C (rough estimate)
Dichte
1.2332 · 1.2332 (rough estimate)
Brechungsindex
1.611 · 1.6110 (estimate)
storage temp.
-20 °C · Store at -20°C
Löslichkeit
Soluble in DMSO

Sicherheit und Regulatorisches

Sicherheitsdaten

Alarmwort
Warnung
Gefahrenhinweise
Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315

Chemie und Industrie

Pharmakologische Informationen

Metabolism/MetabolitesCycloguanil is a known human metabolite of Proguanil.
MeSH Pharmacological Classification · 2 Einträge

Agents used in the treatment of malaria. They are usually classified on the basis of their action against plasmodia at different stages in their life cycle in the human. (From AMA, Drug Evaluations Annual, 1992, p1585)

Inhibitors of the enzyme, dihydrofolate reductase (TETRAHYDROFOLATE DEHYDROGENASE), which converts dihydrofolate (FH2) to tetrahydrofolate (FH4). They are frequently used in cancer chemotherapy. (From AMA, Drug Evaluations Annual, 1994, p2033)

Tissue LocationsKidney
Cellular LocationsCytoplasm

Anwendungen

VerwendenAntimalarial.

Anbieter22 Anbieter

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
梯尔希（南京）药物研发有限公司18012923235 · [email protected]
上海一研生物科技有限公司021-69985186 13611928337 · [email protected]

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