4-メチルピラゾール

4-Methylpyrazole

HCID 3406

基本情報

CAS
7554-65-6
標準SMILES
Cc1cn[nH]c1
InChIKey
RIKMMFOAQPJVMX-UHFFFAOYSA-N
分子式
C4H6N2
平均分子量
82.1 g/mol
単同位体質量
82.0530982

名称と識別子

優先名称
4-Methylpyrazole
IUPAC
4-methyl-1H-pyrazole
現地名
4-メチルピラゾール
英語名
4-Methylpyrazole
分子式
C4H6N2
分子量
82.1

名称と別名

4-Methylpyrazolefomepizole7554-65-61H-Pyrazole, 4-methyl-Fomepizol4-MethylpyrazolFomepizolum83LCM6L2BYNSC-760365CHEBI:5141DTXSID30406494 Methylpyrazole
名称をさらに表示
4-メチルピラゾールフォメピゾール4-メチル1H-ピラゾール4-メチル-1H-ピラゾールホメピゾール4‐メチルピラゾールホメピゾール (JAN)Antizol-VetAKOS B014452Antizol (TN)4-Fomepizole4-methyl-pyrazol
4 Methylpyrazole MonohydrochlorideRefChem:58530DTXCID1020649V03AB34231-445-04-Methyl-1H-pyrazoleAntizolFomepizol [INN-Spanish]

データベース識別子

CAS
7554-65-6
PubChem CID
3406
DTXSID
DTXSID3040649
ChEMBL
CHEMBL1308
ChEBI
CHEBI:5141
UNII
83LCM6L2BY
EC Number
231-445-0
Nikkaji
J35.396E

物性

構造計算による物性

XLogP
1.4
極性表面積
28.7 Ų
水素結合供与体数
1
水素結合受容体数
1
回転可能結合数
0
重原子数
6

物理化学的性質

融点
13 °C · 13°C
沸点
99 · 99-100 °C6 mm Hg(lit.)
比重(密度)
0.993 g/mL · 0.993 g/mL at 25 °C(lit.)
蒸気圧
7.136 · 7.136-87.85Pa at 20-50℃
屈折率
20 · n20/D 1.495(lit.)
闪点
205 °F · 205 °F

化学的性質

化学的特性clear colourless to yellowish liquid after melting

安全と法規制

安全データ

F
10-23
wgk
3
rtecs
UQ7350000
ridadr
2810
毒性
LD50 (7 days) in mice, rats (mmol/kg): 3.8, 3.8 i.v.; 7.8, 6.5 orally (Magnusson)
hs_code
29331990

化学と産業

応用分野 · 4 件

用途有機合成原料。

説明Fomepizole is the first drug indicated as an antidote for ethylene glycol poisoning (it has also shown promise as a treatment for methanol poisoning). Fomepizole is 4-methyl-1H-pyrazole active as a synthetic alcohol dehydrogenase inhibitor, blocking the formation of toxic ethylene glycol metabolites which are responsible for a severe metabolic acidosis and renal failure. In limited human studies, it reversed the toxicity of potentially lethal doses of ethylene glycol. The main urinary metabolite has been reported to be 4-carboxypyrazole by oxidation of the methyl group. Compared with the current treatment (ethanol), the duration of action is longer and the safety is improved, with no toxic effects reported.

使用Fomepizole (4-Methylpyrazole) can be used as: A reactant to prepare 4-methyl-1-phenyl-1H-pyrazole by reacting with bromobenzene via N-arylation using a copper catalyst. A starting material for the synthesis of 4-methyl-3(5)-nitropyrazole by nitration. A ligand in the preparation of gallium(III) complex of 4-methylpyrazole as potential antitumor and antiviral agent.

一般的な説明4-Methylpyrazole inhibits CYP2E1 activity. It also acts as alcohol dehydrogenase inhibitor.

サプライヤー100 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]

補足説明

定義ChEBI: A member of the class of pyrazoles that is 1H-pyrazole substituted by a methyl group at position 4.

関連反応

110 件

化合物ノート

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