Laniquidar

HCID 6450806CAS 197509-46-9

기본 정보

표준 SMILES
COC(=O)c1cnc2n1CCc1ccccc1C2=C1CCN(CCc2ccc(OCc3ccc4ccccc4n3)cc2)CC1
InChIKey
TULGGJGJQXESOO-UHFFFAOYSA-N
분자식
C37H36N4O3
평균 분자량
584.7 g/mol
단동위원소 질량
584.27874101

개요

Laniquidar has been used in trials studying the treatment of Breast Cancer.

이름 및 식별자

우선 이름
Laniquidar
IUPAC
methyl 11-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]piperidin-4-ylidene]-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carboxylate
영어명
Laniquidar
분자식
C37H36N4O3
분자량
584.71

이름 및 동의어

Laniquidar197509-46-9K3FRN4DDOYmethyl 11-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]piperidin-4-ylidene]-5,6-dihydroimidazo[2,1-b][3]benzazepine-3-carboxylateDTXSID10173436R-101933laniquidarummethyl 11-(1-(2-(4-(quinolin-2-ylmethoxy)phenyl)ethyl)piperidin-4-ylidene)-5,6-dihydroimidazo(2,1-b)(3)benzazepine-3-carboxylateRefChem:152258DTXCID9095927methyl 2-(1-(2-(4-((quinolin-2-yl)methoxy)phenyl)ethyl)piperidin-4-ylidene)-4,7-diazatricyclo(8.4.0.0^(3,7))tetradeca-1(14),3,5,10,12-pentaene-6-carboxylateR101933
이름 더 보기
R 101933R 1019335H-Imidazo[2,1-b][3]benzazepine-3-carboxylic acid, 6,11-dihydro-11-[1-[2-[4-(2-quinolinylmethoxy)phenyl]ethyl]-4-piperidinylidene]-, methyl ester
Laniquidar [INN]11C-laniquidarmethyl 11-(1-(4-(quinolin-2-ylmethoxy)phenethyl)piperidin-4-ylidene)-6,11-dihydro-5H-benzo[d]imidazo[1,2-a]azepine-3-carboxylateMethyl 6,11-dihydro-11-(1-(2-(4-(-2-quinolylmethoxy)phenyl)ethyl)-4-piperidinylidene)-5H-imidazo(2,1-b)(3)benzazepine-3-carboxylateUNII-K3FRN4DDOYLANIQUIDAR [WHO-DD]CHEMBL539378orb1685907

데이터베이스 식별자

CAS
197509-46-9
PubChem CID
6450806
DTXSID
DTXSID10173436
ChEMBL
CHEMBL539378
UNII
K3FRN4DDOY

물성

구조 계산 물성

XLogP
5.8
극성 표면적
69.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
8
무거운 원자 수
44

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15

물리화학적 성질

끓는 점
793.1 · 793.1±70.0 °C(Predicted)
밀도
1.24 · 1.24±0.1 g/cm3(Predicted)
산도 계수 (pKa)
8.46 · 8.46±0.20(Predicted)

화학 및 산업

공급사10 곳

上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
AdooQ BioScience, LLC+1 (866) 930-6790 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]

관련 반응

7건

연결된 노트

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