기본 정보
- CAS
714272-27-2- 표준 SMILES
CC(C)(C)c1[nH]cnc1/C=c1\[nH]c(=O)/c(=C/c2ccccc2)[nH]c1=O- InChIKey
UNRCMCRRFYFGFX-TYPNBTCFSA-N- 분자식
- C19H20N4O2
- 평균 분자량
- 336.4 g/mol
- 단동위원소 질량
- 336.15862589
개요
Plinabulin is a member of the class of 2,5-diketopiperazines that is piperazine-2,5-dione substituted by benzylidene and (5-tert-butyl-1H-imidazol-4-yl)methylidene groups at positions 3 and 6, respectively. It is a vascular disrupting agent and a microtubule destabalising agent which was in clinical trials (now discontinued) for the treatment of non-small cell lung cancer. It has a role as an antineoplastic agent, an angiogenesis inhibitor, a microtubule-destabilising agent and an apoptosis inducer. It is a member of benzenes, a member of imidazoles, a member of 2,5-diketopiperazines and an olefinic compound.
이름 및 식별자
- 우선 이름
- Plinabulin
- IUPAC
- (3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
- 영어명
- Plinabulin(NPI-2358)
- 분자식
- C19H20N4O2
- 분자량
- 336.39
이름 및 동의어
Plinabulin714272-27-2NPI-2358plinabulinaplinabulineplinabulinumNPI 2358986FY7F8XRNPI23582,5-Piperazinedione, 3-((5-(1,1-dimethylethyl)-1H-imidazol-4-yl)methylene)-6-(phenylmethylene)-, (3Z,6Z)-CHEBI:177413DTXSID201031311
이름 더 보기
CS-829EOS-62083NSC406141NSC 406141NSC-406141Plinabulin, >=98%Plinabulin(NPI-2358)
RefChem:863841DTXCID101516316(3Z,6Z)-3-((5-tert-butyl-1H-imidazol-4-yl)methylidene)-6-(phenylmethylidene)piperazine-2,5-dione(3Z,6Z)-6-BENZYLIDENE-3-((5-(1,1-DIMETHYLETHYL)-1H-IMIDAZOL-4-YL)METHYLIDENE)PIPERAZINE-2,5-DIONEPlinabulin (NPI-2358)Plinabulin [USAN:INN](3z,6z)-3-Benzylidene-6-[(5-Tert-Butyl-1h-Imidazol-4-Yl)methylidene]piperazine-2,5-DioneUNII-986FY7F8XR
데이터베이스 식별자
- CAS
714272-27-2- PubChem CID
- 9949641
- DTXSID
DTXSID201031311- ChEMBL
CHEMBL1096380
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 86.9 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 597
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 밀도
- 1.267 · 1.267
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- DMSO에 용해됨
- 물리적 상태
- 가루
- 색상
- Light yellow 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 H302
화학 및 산업
약리 정보
Mechanism of Action
NPI-2358 is a vascular disrupting agent currently in clinical development for the treatment of cancer by Nereus. NPI-2358 is one of over 200 synthetic analogues that were prepared following the discovery of the compound Halimide isolated from a marine fungus. In preclinical models of cancer, including lung, breast, sarcoma, colon and prostate, NPI-2358 demonstrated potent and selective anti-tumor effects in combination with docetaxel and other oncology therapies, as well as single-agent efficacy in a number of orthotopic models. NPI-2358 interacts with soluble beta-tubulin and prevents the polymerization of tubulin without altering dynamic microtubule function of formed microtubules. As demonstrated in preclinical testing, this target profile results in a highly specific nanomolar cytotoxicity while reducing the side effects seen in first-generation VDAs due to cardiotoxicity, hemodynamic changes and neuropathies.
공급사97 곳
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
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