4-메틸피라졸

4-Methylpyrazole

HCID 3406

기본 정보

CAS
7554-65-6
표준 SMILES
Cc1cn[nH]c1
InChIKey
RIKMMFOAQPJVMX-UHFFFAOYSA-N
분자식
C4H6N2
평균 분자량
82.1 g/mol
단동위원소 질량
82.0530982

이름 및 식별자

우선 이름
4-Methylpyrazole
IUPAC
4-methyl-1H-pyrazole
현지명
4-메틸피라졸
영어명
4-Methylpyrazole
분자식
C4H6N2
분자량
82.1

이름 및 동의어

4-Methylpyrazolefomepizole7554-65-61H-Pyrazole, 4-methyl-Fomepizol4-MethylpyrazolFomepizolum83LCM6L2BYNSC-760365CHEBI:5141DTXSID30406494 Methylpyrazole
이름 더 보기
4-메틸피라졸Antizol-VetAKOS B014452Antizol (TN)4-Fomepizole4-methyl-pyrazol
4 Methylpyrazole MonohydrochlorideRefChem:58530DTXCID1020649V03AB34231-445-04-Methyl-1H-pyrazoleAntizolFomepizol [INN-Spanish]

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
1.4
극성 표면적
28.7 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
0
무거운 원자 수
6

물리화학적 성질

녹는점
13 °C · 13°C
끓는 점
99 · 99-100 °C6 mm Hg(lit.)
밀도
0.993 g/mL · 0.993 g/mL at 25 °C(lit.)
증기압
7.136 · 7.136-87.85Pa at 20-50℃
굴절률
20 · n20/D 1.495(lit.)
인화점
205 °F · 205 °F

화학적 성질

clear colourless to yellowish liquid after melting

안전 및 규제

안전 데이터

wgk
3
rtecs
UQ7350000
ridadr
2810
독성
LD50 (7 days) in mice, rats (mmol/kg): 3.8, 3.8 i.v.; 7.8, 6.5 orally (Magnusson)
HS 번호
29331990
risk_code
22-36/37/38

화학 및 산업

응용 분야 · 3건

개요Fomepizole 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.

용도Fomepizole (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.

일반 설명4-Methylpyrazole inhibits CYP2E1 activity. It also acts as alcohol dehydrogenase inhibitor.

공급사100 곳

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]

추가 설명

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

관련 반응

110건

화합물 노트

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