기본 정보
- CAS
79781-00-3- 표준 SMILES
COc1cc(NC(C)CCCN/C(C)=C2/CCOC2=O)c2ncccc2c1- InChIKey
ADCOUXIGWFEYJP-SDXDJHTJSA-N- 분자식
- C21H27N3O3
- 평균 분자량
- 369.5 g/mol
- 단동위원소 질량
- 369.20524173
개요
Bulaquine is an aminoquinoline.
이름 및 식별자
- 우선 이름
- Bulaquine
- IUPAC
- (3Z)-3-[1-[4-[(6-methoxyquinolin-8-yl)amino]pentylamino]ethylidene]oxolan-2-one
- 현지명
- 화합물80-53
- 영어명
- Bulaquine
- 분자식
- C21H27N3O3
- 분자량
- 369.46
이름 및 동의어
Bulaquine79781-00-3AablaquineElubaquineTSQ6U39Q3GCDRI 80/532(3H)-Furanone, dihydro-3-(1-((4-((6-methoxy-8-quinolinyl)amino)pentyl)amino)ethylidene)-CDRI 80-53Dihydro-3-(1-((4-((6-methoxy-8-quinolyl)amino)pentyl)amino)ethylidene)-2(3H)-furanoneN'-(3-Acetyl-4,5-dihydro-2-furanyl)-N(4)-(6-methoxy-8-quinolyl)-1,4-pentanediamineRefChem:917703DTXCID6020983
이름 더 보기
화합물80-53CDRI-80/53compound 80-53N-[(3-Acetyl-4,5-dihydrofuran)-2-yl]-N'-(6-methoxy-8-quinolinyl)-1,4-pentanediamine1-[4,5-Dihydro-2-[[4-[(6-methoxyquinoline-8-yl)amino]pentyl]amino]furan-3-yl]ethanone2(3H)-Furanone, dihydro-3-[1-[[4-[(6-methoxy-8-quinolinyl)amino]pentyl]amino]ethylidene]-
(3E)-3-(1-(4-((6-methoxyquinolin-8-yl)amino)pentylamino)ethylidene)oxolan-2-oneDTXSID8040983Bulaquine [INN]3-(1-((4-((6-Methoxyquinolin-8-yl)amino)pentyl)amino)ethylidene)dihydrofuran-2(3H)-one(3Z)-3-[1-[4-[(6-methoxyquinolin-8-yl)amino]pentylamino]ethylidene]oxolan-2-oneCompound 80/53UNII-TSQ6U39Q3GBULAQUINE [WHO-DD]
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 72.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 537
물리화학적 성질
- 끓는 점
- 616.7 · 616.7±55.0 °C(Predicted)
- 밀도
- 1 · 1+-.0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 5.6 · 5.60±0.20(Predicted)
화학 및 산업
응용 분야
개요Bulaquine is a derivative of primaquine that was introduced in India in combination with chloroquine as a treatment against malaria. The compound is prepared by condensation of primaquine with 3-acetyl-y-butyrolactone in presence of a catalytic amount of base. Bulaquine kills the latent tissue stage (hypnozoites) of the parasite Plasmodium vivax accumulated in the liver and responsible for relapses. Its efficient anti-relapse activity was demonstrated against sporozoite induced Plasmodium cynomolgi infection in rhesus monkey. Bulaquine is safer than primaquine, the preceding candidate against malaria relapse. Although it is stable at pH 7-8, bulaquine is hydrolyzed to primaquine under acidic conditions.
공급사4 곳
上海陶术生物科技股份有限公司13564774135 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
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上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
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