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Thonzonium

HCID 5456
노트반응
기본 정보개요이름 및 식별자물성화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
25466-36-8
표준 SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1
InChIKey
IOYZYMQFUSNATM-UHFFFAOYSA-N
분자식
C32H55N4O+
평균 분자량
511.8 g/mol
단동위원소 질량
511.43758739

개요

Hexadecyl-[2-[(4-methoxyphenyl)methyl-(2-pyrimidinyl)amino]ethyl]-dimethylammonium is a member of methoxybenzenes.

이름 및 식별자

우선 이름
Thonzonium
IUPAC
hexadecyl-[2-[(4-methoxyphenyl)methyl-pyrimidin-2-ylamino]ethyl]-dimethylazanium

이름 및 동의어

thonzoniumTonzoniumThonzonium ionThonzonium cationZ05ZE98FV825466-36-8TONZONIUM [WHO-DD]N-(2-((4-Methoxybenzyl)(pyrimidin-2-yl)amino)ethyl)-N,N-dimethylhexadecan-1-aminiumDTXSID8048232hexadecyl(2-{[(4-methoxyphenyl)methyl](pyrimidin-2-yl)amino}ethyl)dimethylazaniumhexadecyl(2-(((4-methoxyphenyl)methyl)(pyrimidin-2-yl)amino)ethyl)dimethylazaniumRefChem:897992
이름 더 보기
DTXCID9028207UNII-Z05ZE98FV8NCGC00016507-01CAS-553-08-2ThonizidePrestwick0_000925Prestwick1_000925Prestwick2_000925

데이터베이스 식별자

CAS
25466-36-8
PubChem CID
5456
DTXSID
DTXSID8048232
ChEMBL
CHEMBL1201322
ChEBI
CHEBI:94514
UNII
Z05ZE98FV8
Nikkaji
J238.511B

물성

구조 계산 물성

XLogP
9.9
극성 표면적
38.3 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
22
무거운 원자 수
37
형식 전하
1
복잡도
515

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
SolubilitySoluble

화학 및 산업

약리 정보

Pharmacodynamics · 1건

Thonzonium bromide causes dispersion and penetration of cellular debris and exudate, thereby promoting tissue contact of the active ingredients contained in the administered medication. It is an inhibitor of vacuolar ATPase that uncouples and blocks the function of the pump without inhibiting ATP hydrolysis.

Mechanism of Action · 1건

Thonzonium bromide is a suface-active agent added in nasal and ear drops that potentiates and lenghten the time of skin contact with the active compounds and penetration through the cellular debris. Thonzonium bromide uncouples vacuolar ATPase in pathogenic fungi such as *Candida albicans* and inhibit cell growth in vitro. It interacts with the tether of subunit a (Vph1p) of the membrane-bound V0 subunit that forms the proton transport path. Disruption of the essential pump function prevents redistribution of cytosolic protons into the vacuolar lumen, resulting in acidification of the cytosol and cell death. A study reports that thonzonium bromide mediates an antiresorptive action on osteoclasts by inhibiting RANKL-induced osteoclast formation. It is shown to block the RANKL-induced activation of NF-jB, ERK and c-Fos as well as the induction of NFATc1 which is essential for OC formation. It also disrupted F-actin ring formation resulting in disturbances in cytoskeletal structure in mature OCs during bone resorption.

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