기본 정보
- CAS
55435-65-9- 표준 SMILES
CC(=O)N(C)c1ccc(Nc2cc(C)[nH]c3ccc4ncnc4c23)cc1.Cl- InChIKey
SOCGJDYHNGLZEC-UHFFFAOYSA-N- 분자식
- C20H20ClN5O
- 평균 분자량
- 381.9 g/mol
- 단동위원소 질량
- 381.135638
개요
Acodazole Hydrochloride is the hydrochloride salt of acodazole, a synthetic imidazoquinoline with antineoplastic activity. Acodazole intercalates into DNA, resulting in disruption of DNA replication. Use of this agent has been associated with significant cardiotoxicity.
이름 및 식별자
- 우선 이름
- Acodazole Hydrochloride
- IUPAC
- N-methyl-N-[4-[(7-methyl-6H-imidazo[4,5-f]quinolin-9-yl)amino]phenyl]acetamide;hydrochloride
- 영어명
- Acodazole
- 분자식
- C20H20ClN5O
- 분자량
- 381.8587
이름 및 동의어
ACODAZOLE HYDROCHLORIDE55435-65-9Acodazole HClAcodazole hydrochloride [USAN]EU 3120NSC 305884NSC-305884EU-31206D7W9EAH22Acetamide, N-methyl-N-(4-((7-methyl-1H-imidazo(4,5-f)quinolin-9-yl)amino)phenyl)-, monohydrochlorideN-Methyl-4'-((7-methyl-1H-imidazo(4,5-f)quinolin-9-yl)amino)acetanilide monohydrochlorideN-Methyl-N-(4-((7-methyl-1H-imidazo(4,5-f)quinolin-9-yl)amino)phenyl)acetamide HCl
이름 더 보기
AcodazoleAcetamide, N-methyl-N-[4-[(7-methyl-1H-imidazo[4,5-F]quinolin-9-yl)amino]phenyl]-, monohydrochloride
Acodazole hydrochloride (USAN)DTXSID40204000ACODAZOLE HYDROCHLORIDE [WHO-DD]NSC305884N-METHYL-4'-((7-METHYL-1H-IMIDAZO(4,5-F)QUINOLIN-9-YL)AMINO)PHENYL)ACETANILIDE MONOHYDROCHLORIDERefChem:552685DTXCID00126491Acetamide, N-methyl-N-(4-((7-methyl-1H-imidazo(4, 5-f)quinolin-9-yl)amino)phenyl)-, monohydrochloride
데이터베이스 식별자
- CAS
55435-65-9
물성
구조 계산 물성
- 극성 표면적
- 69.1 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 819
실험 및 물리화학적 성질
Solubility
H > 50 (mg/mL)
pH 4 Acetate buffer > 50 (mg/mL)
pH 9 Carbonate buffer > 50 (mg/mL)
10% Ethanol > 50 (mg/mL)
Methanol 10 - 12 (mg/mL)
95% Ethanol 10 - 15 (mg/mL)
Stability/Shelf Life
Bulk: The bulk compound did not undergo significant decomposition when heated at 60 °C for 30 days in the dark (HPLC). The compound is quite hygroscopic. Solution: A solution (0.1 mg/mL) prepared in unbuffered water and stored at room temperature and exposed to light was stable for > 48 hours (HPLC).
물리화학적 성질
- 녹는점
- 315 · 315-317 °C
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
독성 정보
Toxicity Data
Mouse(ip): LD50: 161 mg/kg
Mouse(iv): LD50: 87,590 ug/kg
화학 및 산업
응용 분야
용도Antineoplastic.
공급사3 곳
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
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