기본 정보
- CAS
288383-20-0- 표준 SMILES
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1- InChIKey
XXJWYDDUDKYVKI-UHFFFAOYSA-N- 분자식
- C25H27FN4O3
- 평균 분자량
- 450.5 g/mol
- 단동위원소 질량
- 450.2067189
개요
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-(1-pyrrolidinyl)propoxy]quinazoline is an aromatic ether.
이름 및 식별자
- 우선 이름
- Cediranib
- IUPAC
- 4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline
- 영어명
- Cediranib
- 분자식
- C25H27FN4O3
- 분자량
- 450.51
이름 및 동의어
Cediranib288383-20-04-((4-Fluoro-2-methyl-1H-indol-5-yl)oxy)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazolineAZD 2171AZD-2171cediranibumNQU9IPY4K94-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinazolineDTXSID101830354-((4-Fluoro-2-methyl-1H-indol-5-yl)oxy)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazoline (2Z)-but-2-enedioateRefChem:574948DTXCID20105526
이름 더 보기
Cediranib dihydrochlorideCS-377RecentinCadiranibNSC-732208Cediranib RCediranib, >=99%Cediranib (AZD217)
L01XE324-((4-fluoro-2-methyl-1H-indol-5-yl)oxy)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazoline (2Z)-but-2-enedioate (1:1)AZD2171CedirannibCediranib (AZD2171)Cediranib free baseMFCD099541154-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline
데이터베이스 식별자
- CAS
288383-20-0- PubChem CID
- 9933475
- DTXSID
DTXSID10183035- ChEMBL
CHEMBL491473- ChEBI
CHEBI:94782- UNII
- NQU9IPY4K9
- EC Number
- 670-946-2
- Nikkaji
- J2.560.640J
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 72.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 624
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 녹는점
- 135 · 135-138°C
- 끓는 점
- 626.6 · 626.6±55.0 °C(Predicted)
- 밀도
- 1.285 · 1.285
- 저장 조건
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- 용해도
- 아세톤(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 16.14 · 16.14±0.30(Predicted)
- 색상
- 흰색에서 황백색까지
- InChI
- InChI=1S/C25H27FN4O3/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30/h6-7,12-15,29H,3-5,8-11H2,1-2H3
- InChIKey
- XXJWYDDUDKYVKI-UHFFFAOYSA-N
- SMILES
- N1=C2C(C=C(OC)C(OCCCN3CCCC3)=C2)=C(OC2C=CC3=C(C=2F)C=C(C)N3)N=C1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P260, P264, P270, P273, P280, P301+P316, P302+P352, P317, P318, P319, P321, P330, P332+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (100%)
안전 데이터
- wgk
- WGK 3
- HS 번호
- 2933599590
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
ATC Code
L - Antineoplastic and immunomodulating agents
QL - Antineoplastic and immunomodulating agents
Pharmacodynamics
Cediranib is a once-daily, orally available, highly potent and selective VEGF signalling inhibitor that inhibits all three VEGF receptors. The preclinical profile of Cediranib indicates that it has the potential to be the 'best in class' VEGF signalling inhibitor. Phase I data indicate that Cediranib is generally well tolerated, with the most common dose related adverse events being diarrhoea, hoarseness, headache and hypertension.
Mechanism of Action
Cediranib inhibits vacular endothelial growth factor (VEGF) receptor tyrosine kinase (RTK). By forming a blockade at the VEGF receptors, Cediranib limits the growth of new blood vessels, which are essential to supporting tumor growth. Thus, lacking sufficient blood supply, tumor cells become starved for nutrients, slowing or halting growth and potentially improving the efficacy of other treatments. Preclinical evidence indicated that the drug had a high affinity at these sites, and was well tolerated and efficacious in animal studies.
Biological Half-Life12 to 35 hours
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Agents that inhibit PROTEIN KINASES.
Absorption, Distribution and ExcretionAvailable following oral administration.
응용 분야
개요Receptors for VEGF have central roles in vasculogenesis and angiogenesis and thus serve as targets for cancer therapy. Cediranib is a potent inhibitor of VEGF receptor tyrosine kinases, including VEGFR1, 2, and 3 (IC50s = 5, 1, and 3 nM, respectively). It also potently inhibits a variety of other receptor and non-receptor tyrosine kinases, including several in the platelet-derived growth factor, fibroblast growth factor, and endothelial growth factor receptor families. Cediranib blocks tubule formation by human umbilical vein endothelial cells in vitro and prevents angiogenesis as well as xenograft tumor growth in vivo. Because of these effects, cediranib has potential use in a range of cancers.
공급사
불러오는 중…
공개 문의
불러오는 중…
관련 반응
5건
화합물 노트
불러오는 중…