Apaziquone
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기본 정보
- CAS
114560-48-4- 표준 SMILES
Cn1c(/C=C/CO)c(CO)c2c1C(=O)C=C(N1CC1)C2=O- InChIKey
MXPOCMVWFLDDLZ-NSCUHMNNSA-N- 분자식
- C15H16N2O4
- 평균 분자량
- 288.3 g/mol
- 단동위원소 질량
- 288.111007
개요
Apaziquone is a member of indoles.
이름 및 식별자
- 우선 이름
- Apaziquone
- IUPAC
- 5-(aziridin-1-yl)-3-(hydroxymethyl)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylindole-4,7-dione
- 영어명
- APAZIQUONE,1H-INDOLE-4,7-DIONE, 5-(1-AZIRIDINYL)-3-(HYDROXYMETHYL)-2-(3-HYDROXY-1-PROPENYL)-1-METHYL-, (E)-
- 분자식
- C15H16N2O4
- 분자량
- 288.301
이름 및 동의어
Apaziquone114560-48-4EOquinApaziquonumNeoquinQapzolaNOR-701ApazicuonaNSC 382459H464ZO600ONSC-3824565-(Azridin-1-yl)-3-(hydroxymethyl)-2-((1E)-3-hydroxyprop-1-enyl)-methyl-1H-indole-4,7-dione
이름 더 보기
EO 9NSC 382456EO 9 (pharmaceutical)5-(1-aziridinyl)-3-(hydroxyMethyl)-2-[(E)-3-hydroxyprop-1-enyl]-1-Methyl-1H-indole-4,7-dione5-(1-Aziridinyl)-3-(hydroxymethyl)-2-[(1E)-3-hydroxy-1-propen-1-yl]-1-methyl-1H-indole-4,7-dione(E)-5-(aziridin-1-yl)-3-(hydroxymethyl)-2-(3-hydroxyprop-1-en-1-yl)-1-methyl-1H-indole-4,7-dione1H-Indole-4,7-dione, 5-(1-aziridinyl)-3-(hydroxymethyl)-2-[(1E)-3-hydroxy-1-propen-1-yl]-1-methyl-APAZIQUONE,1H-INDOLE-4,7-DIONE, 5-(1-AZIRIDINYL)-3-(HYDROXYMETHYL)-2-(3-HYDROXY-1-PROPENYL)-1-METHYL-, (E)-
DTXSID908695871H-Indole-4,7-dione, 5-(1-aziridinyl)-3-(hydroxymethyl)-2-((1E)-3-hydroxy-1-propenyl)-1-methyl-5-(Azridin-1-yl)-3-(hydroxymethyl)-2-[(1E)-3-hydroxyprop-1-enyl]-methyl-1H-indole-4,7-dione3-hydroxymethyl-5-aziridinyl-1-methyl-2-(1H-indole-4,7-dione)prop-beta-en-alpha-olRefChem:558392DTXCID90910841NSC3824563-hydroxymethyl-5-aziridinyl-1-methyl-2-(1H-indole-4,7-dione) prop-beta-en-alpha-ol
데이터베이스 식별자
- CAS
114560-48-4- PubChem CID
- 5813717
- DTXSID
DTXSID90869587- ChEMBL
CHEMBL73822- ChEBI
CHEBI:177558- UNII
- H464ZO600O
- Nikkaji
- J367.557B、J661.712C
물성
구조 계산 물성보충 중
- XLogP
- -0.5
- 극성 표면적
- 82.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 524
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesChemical shift
물리화학적 성질
- 끓는 점
- 632.3 · 632.3±55.0 °C(Predicted)
- 밀도
- 1.45 · 1.45
- 산도 계수 (pKa)
- 13.58 · 13.58±0.10(Predicted)
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationSubstances that inhibit or prevent the proliferation of NEOPLASMS.
응용 분야
용도Apaziquone is an indolequinone that is a bioreductive prodrug and a chemical analog of Mitomycin C (M371900), a chemotherapeutic agent. Apaziquone is a potential therapeutic agent for the treatment of non-muscle invasive bladder cancer.
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