기본 정보
- CAS
204205-90-3- 표준 SMILES
O=C(Nc1ccncc1)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12- InChIKey
SOLIIYNRSAWTSQ-UHFFFAOYSA-N- 분자식
- C22H16ClN3O2
- 평균 분자량
- 389.8 g/mol
- 단동위원소 질량
- 389.0931045
개요
Indibulin is a synthetic small molecule with antimitotic and potential antineoplastic activities. Indibulin binds to a site on tubulin that is different from taxane- or Vinca alkaloid-binding sites, destabilizing tubulin polymerization and inducing tumor cell cycle arrest and apoptosis. This agent has been shown to be active against multidrug-resistant (MDR) and taxane- resistant tumor cell lines.
이름 및 식별자
- 우선 이름
- Indibulin
- IUPAC
- 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide
- 영어명
- Indibulin
- 분자식
- C22H16ClN3O2
- 분자량
- 389.83
이름 및 동의어
Indibulin204205-90-3d-24851ZIO-301IndibulinaIndibuline80K4H2RB8PD 24851DTXSID701743682-{1-[(4-Chlorophenyl)methyl]-1H-indol-3-yl}-2-oxo-N-(pyridin-4-yl)acetamideindibulinum2-(1-((4-chlorophenyl)methyl)-1H-indol-3-yl)-2-oxo-N-(pyridin-4-yl)acetamide
이름 더 보기
NascapineZIO 301lindiblinIndibulin, 10 mM in DMSO2-[1-(4-Chlorobenzyl)-1H-indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide1H-Indole-3-acetamide, 1-[(4-chlorophenyl)methyl]-α-oxo-N-4-pyridinyl-2-(1-(4-Chlorophenylmethyl)-1H-indol-3-yl)-2-oxo-N-(pyridin-4-yl)acetamideIndibulin,Apoptosis,ZIO301,D24851,Inhibitor,inhibit,ZIO-301,D-24851,Microtubule/Tubulin
RefChem:790909DTXCID0096859N-(Pyridin-4-yl)-(1-(4-chlorobenzyl)indol-3-yl)glycoxylamiden-(pyridin-4-yl)-(1-(4-chlorobenzyl)indol-3-yl)glyoxylamide2-(1-(4-chlorobenzyl)-1H-indol-3-yl)-2-oxo-N-(pyridin-4-yl)acetamide2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamideMFCD05861105ZIO 301;D 24851
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 64 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 558
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 밀도
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- 용해도
- 33.25 · DMSO:33.25(Max Conc. mg/mL);85.29(Max Conc. mM)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 9.38 · 9.38±0.70(Predicted)
- 색상
- Off-white to yellow
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
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
응용 분야
개요Indibulin (D-24851; ZIO-301), a novel synthetic small molecule microtubule inhibitor, destabilizes microtubules and has antitumor activity but does not exhibit neurotoxicity in preclinical animal studies. Indibulin reduces inter-kinetochoric tension, produces aberrant spindles, activates mitotic checkpoint proteins Mad2 and BubR1, and induces mitotic arrest and apoptosis. The drug can discriminate between highly posttranslationally modified tubulin present in mature neuronal microtubules, and less-modified tubulin present in immature neuronal or nonneuronal microtubules.
용도Indibulin is a chemotherapeutic drug that destabilizes microtubules and is used to treat aggressive and heterogenous cancers, including breast cancer.
공급사54 곳
上海腾准生物科技有限公司19821570922 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
上海冬洋生物科技有限公司0512-13601744364 13601744364 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
Advanced chemblocks inc650-6922368 650-6922368;650-6922368 · [email protected]
United Life Science
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