E-4031 dihydrochloride

HCID 3087190

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 113559-13-0
표준 SMILES: Cc1cccc(CCN2CCC(C(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)n1.Cl.Cl
InChIKey: ZQBNWMFBOSOOLX-UHFFFAOYSA-N
분자식: C21H29Cl2N3O3S
평균 분자량: 474.4 g/mol
단동위원소 질량: 473.13066815

개요

이름 및 식별자

우선 이름: E-4031 dihydrochloride
IUPAC: N-[4-[1-[2-(6-methyl-2-pyridinyl)ethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide;dihydrochloride
영어명: E-4031
분자식: C21H33Cl2N3O5S
분자량: 510.47

이름 및 동의어

E-4031 dihydrochloride814AT2BQO7RefChem:1084021E-4031 FreeCHEMBL536480N-(4-(1-(2-(6-Methylpyridin-2-yl)ethyl)piperidine-4-carbonyl)phenyl)methanesulfonamide dihydrochlorideN-[4-[1-[2-(6-methylpyridin-2-yl)ethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide;dihydrochlorideMFCD01754739Methanesulfonamide, N-(4-((1-(2-(6-methyl-2-pyridinyl)ethyl)-4-piperidinyl)carbonyl)phenyl)-,dihydrochlorideN-[4-[[1-[2-(6-methyl-2-pyridinyl)ethyl]-4-piperidinyl]carbonyl]phenyl]methanesulfonamide dihydrochlorideMethanesulfonamide, N-[4-[[1-[2-(6-methyl-2-pyridinyl)ethyl]-4-piperidinyl]carbonyl]phenyl]-, hydrochloride (1:2)N-[4-[1-[2-(6-methylpyridin-2-yl)ethyl]piperidine-4-carbonyl]phenyl]methanesulfonamide dihydrochloride

이름 더 보기

E-4031E4031 diHClE-4031 (hydrochloride)E-4031 dihydrochloride, HERG K+ channel blocker1-(2-(6-methyl-2-pyridyl)ethyl)-4-(4-methylsulfonylaminobenzoyl)piperidinedmethanesulfonamide,n-(4-((1-(2-(6-methyl-2-pyridinyl)ethyl)-4-piperidinyl)carbInhibitor,anti-arrhythmic,Potassium Channel,E4031,E 4031,KcsA,inhibit,E-4031,hERGN-(4-(1-(2-(6-METHYLPYRIDIN-2-YL)ETHYL)PIPERIDINE-4-CARBONYL)PHENYL)METHANESULFONAMIDE 2HCLN-[4-[1-[2-(6-Methyl-2-pyridinyl)ethyl]-4-piperidinylcarbonyl]phenyl]methanesulfonamide·2hydrochloric acid

N-[4-[[1-[2-(6-methyl-2-pyridinyl)ethyl]-4-piperidinyl]carbonyl]phenyl]methanesulfonamidedihydrochlorideMETHANESULFONAMIDE, N-(4-((1-(2-(6-METHYL-2-PYRIDINYL)ETHYL)-4-PIPERIDINYL)CARBONYL)PHENYL)-, HYDROCHLORIDE (1:2)UNII-814AT2BQO7C21H29Cl2N3O3Sorb1226940orb1299987SCHEMBL9444378SCHEMBL29651421

데이터베이스 식별자

CAS: 113559-13-0
PubChem CID: 3087190
DTXSID: DTXSID30150461
ChEMBL: CHEMBL536480
UNII: 814AT2BQO7

물성

구조 계산 물성

극성 표면적: 87.8 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 6
회전 가능 결합 수: 7
무거운 원자 수: 30
형식 전하: 0
복잡도: 603

물리화학적 성질

저장 조건: -20 °C · -20°C
용해도: 2 O: · H2O: 용해성
물리적 상태: 고체
색상: 회백색
수용성: 2 O: · H2O: soluble
안정성: 흡습성
InChI: 1S/C21H27N3O3S.2ClH/c1-16-4-3-5-19(22-16)12-15-24-13-10-18(11-14-24)21(25)17-6-8-20(9-7-17)23-28(2,26)27;;/h3-9,18,23H,10-15H2,1-2H3;2*1H
InChIKey: ZQBNWMFBOSOOLX-UHFFFAOYSA-N
SMILES: Cl.Cl.Cc1cccc(CCN2CCC(CC2)C(=O)c3ccc(NS(C)(=O)=O)cc3)n1

안전 및 규제

안전 데이터

wgk: 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도E-4031 has been used as:human ether-a-go-go-related gene (hERG) blocker in human-induced pluripotent stem cell-derived cardiomyocytes (hiPSC-CMs)IKr blocker in long QT syndrome (LQTS) induced pluripotent stem (iPSCs) embryoid bodies IKr blocker in rat ventricular myocytes

공급사58 곳

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

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

上海冬洋生物科技有限公司0512-13601744364 13601744364

화합물 노트

불러오는 중…