Cycloguanil

HCID 9049CAS 516-21-2
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기본 정보

표준 SMILES
CC1(C)N=C(N)N=C(N)N1c1ccc(Cl)cc1
InChIKey
QMNFFXRFOJIOKZ-UHFFFAOYSA-N
분자식
C11H14ClN5
평균 분자량
251.71 g/mol
단동위원소 질량
251.09377313

개요

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.

이름 및 식별자

우선 이름
Cycloguanil
IUPAC
1-(4-chlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
영어명
Cycloguanil
분자식
C11H14ClN5
분자량
251.72

이름 및 동의어

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
이름 더 보기
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]

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
1
극성 표면적
80 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
1
회전 가능 결합 수
1
무거운 원자 수
17

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Metabolite of Proguanil

물리화학적 성질

녹는점
146 ° · 146°
끓는 점
397.13 °C · 397.13°C (rough estimate)
밀도
1.2332 · 1.2332 (rough estimate)
굴절률
1.611 · 1.6110 (estimate)
저장 조건
-20 °C · Store at -20°C
용해도
DMSO에 용해됨

안전 및 규제

안전 데이터

신호 어
Warning
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315

화학 및 산업

약리 정보

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

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

응용 분야

용도Antimalarial.

공급사22 곳

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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