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2-[(Hydroxyimino)methyl]-1-methylpyridinium

HCID 4884
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
45765-69-3
標準SMILES
C[n+]1ccccc1C=NO
InChIKey
JBKPUQTUERUYQE-UHFFFAOYSA-O
分子式
C7H9N2O+
平均分子量
137.16 g/mol
単同位体質量
137.07148792

概要

Pralidoxime is an antidote to organophosphate pesticides and chemicals. Organophosphates bind to the esteratic site of acetylcholinesterase, which results initially in reversible inactivation of the enzyme. If given within 24 hours,after organophosphate exposure, pralidoxime reactivates the enzyme cholinesterase by cleaving the phosphate-ester bond formed between the organophosphate and acetylcholinesterase.

名称と識別子

優先名称
2-[(Hydroxyimino)methyl]-1-methylpyridinium
IUPAC
N-[(1-methylpyridin-1-ium-2-yl)methylidene]hydroxylamine

名称と別名

AtnaaSpectrum_0011442-[(HYDROXYIMINO)METHYL]-1-METHYLPYRIDINIUMPrestwick0_000943Prestwick1_000943Spectrum2_000921Spectrum3_001498Spectrum4_000323CHEMBL1420KBioGR_000665KBioSS_001624DivK1c_000770
名称をさらに表示
SCHEMBL439969SPBio_000822SPBio_003065N-methyl-pyridinium-2-aldoximeGTPL4652orb1744464SCHEMBL31456539KBio1_000770

データベース識別子

CAS
45765-69-3、6735-59-7
PubChem CID
4884
ChEMBL
CHEMBL1420
Nikkaji
J232.003G

物性

構造計算による物性

XLogP
1
極性表面積
36.5 Ų
水素結合供与体数
1
水素結合受容体数
2
回転可能結合数
1
重原子数
10
形式電荷
1
複雑度
125

実験および物理化学的性質

LogP1.564
Solubility1.49e-01 g/L
Melting Point · 2 件

215-225 °C

215 - 225 °C

Physical DescriptionSolid

化学と産業

薬理情報

Protein BindingNo binding to plasma proteins
Pharmacodynamics · 1 件

Pralidoxime is to reactivate cholinesterase (mainly outside of the central nervous system) which has been inactivated by phosphorylation due to an organophosphate pesticide or related compound. The destruction of accumulated acetylcholine can then proceed, and neuromuscular junctions will again function normally. Pralidoxime also slows the process of "aging" of phosphorylated cholinesterase to a nonreactivatable form, and detoxifies certain organophosphates by direct chemical reaction. The drug has its most critical effect in relieving paralysis of the muscles of respiration. Because pralidoxime is less effective in relieving depression of the respiratory center, atropine is always required concomitantly to block the effect of accumulated acetylcholine at this site. Pralidoxime relieves muscarinic signs and symptoms, salivation, bronchospasm, etc., but this action is relatively unimportant since atropine is adequate for this purpose.

Mechanism of Action · 1 件

Pralidoxime is an antidote to organophosphate pesticides and chemicals. Organophosphates bind to the esteratic site of acetylcholinesterase, which results initially in reversible inactivation of the enzyme. Acetylcholinesterase inhibition causes acetylcholine to accumulate in synapses, producing continuous stimulation of cholinergic fibers throughout the nervous systems. If given within 24 hours after organophosphate exposure, pralidoxime reactivates the acetylcholinesterase by cleaving the phosphate-ester bond formed between the organophosphate and acetylcholinesterase.

Biological Half-Life74-77 minutes
Metabolism/MetabolitesHepatic
Absorption, Distribution and ExcretionThe drug is rapidly excreted in the urine partly unchanged, and partly as a metabolite produced by the liver.
Cellular LocationsCytoplasm

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