ZM 323881 hydrochloride
기본 정보
- CAS
193000-39-4- 표준 SMILES
Cc1cc(F)c(Nc2ncnc3cc(OCc4ccccc4)ccc23)cc1O.Cl- InChIKey
AVRHWGLIYGJSOD-UHFFFAOYSA-N- 분자식
- C22H19ClFN3O2
- 평균 분자량
- 411.9 g/mol
- 단동위원소 질량
- 411.1149827
개요
ZM 323881 hydrochloride is a hydrochloride obtained by combining ZM 323881 with one molar equivalent of hydrochloric acid. It has a role as an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor and a vascular endothelial growth factor receptor antagonist. It contains a ZM 323881(1+).
이름 및 식별자
- 우선 이름
- ZM 323881 hydrochloride
- IUPAC
- 4-fluoro-2-methyl-5-[(7-phenylmethoxyquinazolin-4-yl)amino]phenol;hydrochloride
- 영어명
- ZM 323881 hydrochloride
- 분자식
- C22H19ClFN3O2
- 분자량
- 411.86
이름 및 동의어
ZM 323881 hydrochloride193000-39-4ZM-323881 hydrochloride5-((7-(benzyloxy)quinazolin-4-yl)amino)-4-fluoro-2-methylphenol hydrochlorideZM 323881 monohydrochlorideZM-323881 monohydrochlorideCHEBI:91182ZM 323881.HClZM-323881.HCl5-{[7-(benzyloxy)quinazolin-4-yl]amino}-4-fluoro-2-methylphenol hydrochloride7-(benzyloxy)-N-(2-fluoro-5-hydroxy-4-methylphenyl)quinazolin-4-aminium chlorideRefChem:905369
이름 더 보기
ZM 323881 HCl ，S2896ZM 323881 HCl, >=99%ZM 323881 hydrochloride USP/EP/BPZM323881 hydrochloride HCL ZM-323881ZM323881 hydrochloride, 10 mM in DMSOZM 323881 hydrochloride|||ZM 323881 HCl4-fluoro-2-methyl-5-[(7-phenylmethoxyquinazolin-4-yl)amino]phenolPhenol, 4-fluoro-2-methyl-5-[[7-(phenylmethoxy)-4-quinazolinyl]amino]-, hydrochloride (1:1)
110-744-9ZM323881 hydrochloride324077-30-7ZM323881 (hydrochloride)ZM 323881 HCl5-((7-BENZYLOXYQUINAZOLIN-4-YL)AMINO)-4-FLUORO-2-METHYLPHENOL HYDROCHLORIDEZM323881 HCl4-fluoro-2-methyl-5-[(7-phenylmethoxyquinazolin-4-yl)amino]phenol;hydrochloride
물성
구조 계산 물성
- 극성 표면적
- 67.3 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 490
물리화학적 성질
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 30 mg/ml; · DMF: 30 mg/ml; DMSO: 30 mg/ml; DMSO:PBS (pH 7.2) (1:2): 0.33 mg/ml
- 물리적 상태
- 가루
- 색상
- Light yellow to yellow
- InChI
- 1S/C22H18FN3O2.ClH/c1-14-9-18(23)20(11-21(14)27)26-22-17-8-7-16(10-19(17)24-13-25-22)28-12-15-5-3-2-4-6-15;/h2-11,13,27H,12H2,1H3,(H,24,25,26);1H
- InChIKey
- AVRHWGLIYGJSOD-UHFFFAOYSA-N
- SMILES
- Fc1c(cc(c(c1)C)O)Nc2ncnc3c2ccc(c3)OCc4ccccc4.Cl
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- WGK 3
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Hydrochloride salt of ZM 323881, a potent and selective inhibitor of vascular endothelial growth factor receptor-2 (VEGFR-2) with application towards cancer treatments.
관련 반응
3건
화합물 노트
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