기본 정보
- CAS
5330-29-0- 표준 SMILES
CCN(CC)CCCCCCNc1cc(OC)cc2c(C)ccnc12- InChIKey
RVAKDGYPIVSYEU-UHFFFAOYSA-N- 분자식
- C21H33N3O
- 평균 분자량
- 343.5 g/mol
- 단동위원소 질량
- 343.26236269
개요
Sitamaquine (WR-6026) is an orally active 8-aminoquinoline analog in development by the Walter Reed Army Institute, in collaboration with GlaxoSmithKline (formerly SmithKline Beecham), for the potential treatment of visceral leishmaniasis.
이름 및 식별자
- 우선 이름
- Sitamaquine
- IUPAC
- N',N'-diethyl-N-(6-methoxy-4-methylquinolin-8-yl)hexane-1,6-diamine
- 현지명
- 시타마퀸,N,N-디에틸-N'-(6-메톡시-4-메틸-퀴놀린-8-일)-헥산-1,6-디아민
- 영어명
- SITAMAQUINE,N,N-DIETHYL-N'-(6-METHOXY-4-METHYL-QUINOLIN-8-YL)-HEXANE-1,6-DIAMINE
- 분자식
- C21H33N3O
- 분자량
- 343.51
이름 및 동의어
Sitamaquine57695-04-2Sitamaquina5AIJ4TGC6BWR 60268-((6-(Diethylamino)hexyl)amino)-6-methoxy-4-methylquinolineDTXSID70206395sitamaquinumsitamaquine hydrochlorideRefChem:886376DTXCID70128886N-(6-(diethylamino)hexyl)-6-methoxy-4-methylquinolin-8-amine
이름 더 보기
시타마퀸,N,N-디에틸-N'-(6-메톡시-4-메틸-퀴놀린-8-일)-헥산-1,6-디아민6-METHOXY-8-(6-DIETHYLAMINOHEXYLAMINO)-4-METHYLQUINOLINEN-[6-(Diethylamino)hexyl]-4-methyl-6-methoxyquinoline-8-amineN,N-Diethyl-N'-(6-methoxy-4-methylquinolin-8-yl)-1,6-hexanediamine1,6-Hexanediamine, N1,N1-diethyl-N6-(6-methoxy-4-methyl-8-quinolinyl)-
WR-6026WR6026N',N'-diethyl-N-(6-methoxy-4-methylquinolin-8-yl)hexane-1,6-diamineWR 6026 dihydrochlorideMMV000063SITAMAQUINE,N,N-DIETHYL-N'-(6-METHOXY-4-METHYL-QUINOLIN-8-YL)-HEXANE-1,6-DIAMINE1,6-Hexanediamine, N,N-diethyl-N'-(6-methoxy-4-methyl-8-quinolinyl)-NSC2452
데이터베이스 식별자
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 37.4 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 348
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 끓는 점
- 0.05 · bp0.05 190-200°
- 밀도
- 1.033 · 1.033±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 10.56 · 10.56±0.25(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P280, P301+P316, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (100%)
화학 및 산업
약리 정보
Mechanism of Action
The mechanism of plasmodicidal action of sitamaquine is not completely understood. Like other quinoline derivatives, it is thought to inhibit heme polymerase activity. This results in accumulation of free heme, which is toxic to the parasites.
상·하류 제품 정보
상류 원료
공급사2 곳
北京华美互利生物化工010-56205725 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
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