N-Desmethyl vandetanib

HCID 5329048CAS 338992-12-4

기본 정보

표준 SMILES: COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1CCNCC1
InChIKey: HTCPERSEGREUFC-UHFFFAOYSA-N
분자식: C21H22BrFN4O2
평균 분자량: 461.3 g/mol
단동위원소 질량: 460.09101626

이름 및 식별자

우선 이름: N-Desmethyl vandetanib
IUPAC: N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine
영어명: N-DeMethyl Vandetanib
분자식: C21H22BrFN4O2
분자량: 461.33

이름 및 동의어

N-Desmethyl vandetanib338992-12-4N-DesmethylvandetanibN-Desmethyl-ZD6474K4I43R5TNPN-Desmethyl metabolite of vandetanibJ1.720.299EM3825584-(4-Bromo-2-fluoroanilino)-6-methoxy-7-((piperidin-4-yl)methoxy)quinazoline4-Quinazolinamine, N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(4-piperidinylmethoxy)-RefChem:1091714N-Demethyl Vandetanib

이름 더 보기

Demethyl Vandetanib 13C6Vandetanib N-Desmethyl ImpurityN-Demethyl vandetanib trifluoroacetate saltVandetanib Impurity 1 (N-Desmethyl Vandetanib)4-(4-BroMo-2-fluoroanilino)-6-Methoxy-7-[(piperidin-4-yl)Methoxy]quinazolineN-(4-BroMo-2-fluorophenyl)-6-Methoxy-7-(4-piperidinylMethoxy)-4-quinazolinaMine

N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amineUNII-K4I43R5TNPN-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(piperidin-4-yl)methoxy]quinazolin-4-amine4-Anilinoquinazoline 224-Quinazolinamine, N-(4-bromo-2-fluorophenyl)-6-methoxy-7-(4-piperidinylmethoxy)-; N-(4-Bromo-2-fluorophenyl)-6-methoxy-7-(4-piperidinylmethoxy)-4-quinazolinamine; 4-(4-Bromo-2-fluoroanilino)-6-methoxy-7-[(piperidin-4-yl)methoxy]quinazoline; N-Demethyl VaC21H22BrFN4O2BDBM4675SCHEMBL1612820

데이터베이스 식별자

CAS: 338992-12-4
PubChem CID: 5329048
DTXSID: DTXSID50416177
UNII: K4I43R5TNP
Nikkaji: J1.720.299E

물성

구조 계산 물성

XLogP: 4.5
극성 표면적: 68.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 7
회전 가능 결합 수: 6
무거운 원자 수: 29
형식 전하: 0
복잡도: 513

물리화학적 성질

용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
색상: 연한 노란색에서 밝은 노란색까지

화학 및 산업

약리 정보

Tissue LocationsKidney

Cellular LocationsCytoplasm

응용 분야

용도A major metabolite of Vandetanib (V097100).

공급사20 곳

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

湖北科乐精细化工有限公司027-59101668 19945030958 · [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]

연결된 노트

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