4-アミノアンチピリン
4-Aminoantipyrine
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基本情報
- CAS
83-07-8- 標準SMILES
Cc1c(N)c(=O)n(-c2ccccc2)n1C- InChIKey
RLFWWDJHLFCNIJ-UHFFFAOYSA-N- 分子式
- C11H13N3O
- 平均分子量
- 203.24 g/mol
- 単同位体質量
- 203.10586205
概要
4-aminoantipyrine is a pyrazolone, a member of the class of pyrazoles that is antipyrine substituted at C-4 by an amino group. It is a metabolite of aminopyrine and of metamizole. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic, an antipyretic, an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor, an antirheumatic drug, a drug metabolite, a peripheral nervous system drug and a marine xenobiotic metabolite. It is a primary amino compound and a pyrazolone. It is functionally related to an antipyrine.
名称と識別子
- 優先名称
- 4-Aminoantipyrine
- IUPAC
- 4-amino-1,5-dimethyl-2-phenylpyrazol-3-one
- 現地名
- 4-アミノアンチピリン
- 英語名
- 4-Aminoantipyrine
- 分子式
- C11H13N3O
- 分子量
- 203.24
名称と別名
4-AminoantipyrineAMPYRONE83-07-84-AminophenazoneAminoantipyrineMetapirazone4-AminoantipyreneAminoantipyrinSolvapyrin-AAminoazopheneAminoazophenazoneSolnapyrin-A
名称をさらに表示
4-アミノアンチピリン1,2-ジヒドロ-1,5-ジメチル-2-フェニル-4-アミノ-3H-ピラゾール-3-オン4-アミノ-1,2-ジヒドロ-1,5-ジメチル-2-フェニル-3H-ピラゾール-3-オン4-アミノ-1,5-ジメチル-2-フェニル-4-ピラゾリン-3-オン2,3-ジメチル-1-フェニル-4-アミノ-3-ピラゾリン-5-オンアンピロン4-アミノ-1-フェニル-2,3-ジメチル-1H-ピラゾール-5(2H)-オン4-アミノ-2,3-ジメチル-1-フェニル-3-ピラゾリン-5-オンアミノアンチピリン1,5-ジメチル-2-フェニル-4-アミノ-4-ピラゾリン-3-オン1,5-ジメチル-2-フェニル-4-アミノ-1,2-ジヒドロ-3H-ピラゾール-3-オン1,5-ジメチル-2-フェニル-4-アミノ-2,3-ジヒドロ-1H-ピラゾール-3-オン4-アミノ-1,5-ジメチル-2-フェニル-3(2H)-ピラゾロン1,5-ジメチル-4-アミノ-2-フェニル-1H-ピラゾール-3(2H)-オン4-アミノ-1,5-ジメチル-2-フェニル-1H-ピラゾール-3(2H)-オン1,5-ジメチル-2-フェニル-4-アミノ-1H-ピラゾール-3(2H)-オン4-アミノ-2,3-ジメチル-1-フェニル-5-ピラゾロン4-アミノフェナゾン
物性
構造計算による物性補完中
- XLogP
- 0.1
- 極性表面積
- 49.6 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 1
- 重原子数
- 15
- 形式電荷
- 0
- 複雑度
- 305
実験および物理化学的性質
DrugsPharmaceuticals -> Metabolite of Metamizole
Animal DrugsPharmaceuticals -> Animal Drugs -> Approved in Taiwan
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section
151.49 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
142.6 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
142.48 Ų [M+H]+
物理化学的性質
- 融点
- 105 · 105-110 °C(lit.)
- 沸点
- 340 C · 340 C
- 比重(密度)
- 0.8 · 0.8
- 屈折率
- 1.493 · 1.4930 (estimate)
- 貯蔵温度
- Keep in dark place,Inert atmosphere,Room temperature
- 溶解性
- 2 O: · H2O: 0.1 g/mL、透明
- 酸解離定数(Pka)
- 1 · pK1: 4.94(+1) (25°C)
- 外見
- 粉末または結晶
- 色
- 黄色から黄褐色
- PH
- 7.1 · 7.1 (100g/l, H2O, 20℃)(slurry)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 1% (1 of 105) of reports.
Warning
H302 (99%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 105 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information4-Amino-2,3-dimethyl-1-phenyl-3-pyrazolin-5-one: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 3H-Pyrazol-3-one, 4-amino-1,2-dihydro-1,5-dimethyl-2-phenyl-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (99%)
安全データ
- F
- 8-9-23
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- CD2480000
- 毒性
- LD50 orally in Rabbit: 1700 mg/kg
- hs_code
- 29331190
- risk_code
- 22-36/37/38-20/21/22
- 化審法
- (9)-62
- hazard_code
- Xn
- hazard_note
- Harmful
- safety_code
- 26-36-36/37/39
化学と産業
薬理情報
ATC CodeN02BB03
MeSH Pharmacological Classification
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
用途と製造
Use Classification
Pharmaceuticals -> Animal Drugs -> Approved in Taiwan
Pharmaceuticals -> Nervous System -> Analgesics -> Pyrazolones -> Transformation products
General Manufacturing Information3H-Pyrazol-3-one, 4-amino-1,2-dihydro-1,5-dimethyl-2-phenyl-: ACTIVE
応用分野
用途フェノール定量、有機合成用。
用途アンピロン（英:Ampyrone）は、抗炎症剤、解熱鎮痛剤、解熱剤の特性を有するアミノピリンの代謝産物である。顆粒球減少症の危険性のために薬剤としての使用は推奨されていない。その代わりに、過酸化物またはフェノールを生成する生化学反応の試薬として使用されている。アンピロンは、肝ミクロソームを刺激し、また、細胞外液を測定するために使用されている。
4-Aminoantipyrine is a metabolite of aminopyrine, having both analgesic and anti-inflammatory properties. It readily forms metal complexes due to its amino nitrogen, a strong coordination site.4-aminoantipyrine forms Schiff bases when treated with aldehydes/ketones, which are used in chemosensing applications.Coupling Reagent for Trinder's reagent in colorimetric hydrogen peroxide detectionassays.Forms highly stable dyes by coupling with Trinder's reagent in presence of Peroxidase and H2O2. Therefore suitable for use in test strip and solution diagnostics.
関連反応
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