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化工社オープンプロジェクト:[email protected]AIアクセス:llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.7.8
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Thonzonium

HCID 5456
ノート反応
基本情報概要名称と識別子物性化学と産業関連反応化合物ノート
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基本情報

CAS
25466-36-8
標準SMILES
CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1
InChIKey
IOYZYMQFUSNATM-UHFFFAOYSA-N
分子式
C32H55N4O+
平均分子量
511.8 g/mol
単同位体質量
511.43758739

概要

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

名称と識別子

優先名称
Thonzonium
IUPAC
hexadecyl-[2-[(4-methoxyphenyl)methyl-pyrimidin-2-ylamino]ethyl]-dimethylazanium

名称と別名

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
名称をさらに表示
DTXCID9028207UNII-Z05ZE98FV8NCGC00016507-01CAS-553-08-2ThonizidePrestwick0_000925Prestwick1_000925Prestwick2_000925

データベース識別子

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

物性

構造計算による物性

XLogP
9.9
極性表面積
38.3 Ų
水素結合供与体数
0
水素結合受容体数
4
回転可能結合数
22
重原子数
37
形式電荷
1
複雑度
515

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15
SolubilitySoluble

化学と産業

薬理情報

Pharmacodynamics · 1 件

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 · 1 件

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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化合物ノート

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