4-메틸피라졸
4-메틸피라졸 · FOMEPIZOLE · 4-Methyl-1H-pyrazole · fomepizol · Antizol · Antizol-Vet · AKOS B014452 · Antizol (TN)
식별자 및 물리적 특성
| CAS No. | 7554-65-6 |
|---|---|
| 분자식 | C4H6N2 |
| 평균 분자량 | 82.1 g/mol |
| 단동위원소 질량 | 82.0530982 g/mol |
| SMILES | Cc1cn[nH]c1 |
| InChIKey | RIKMMFOAQPJVMX-UHFFFAOYSA-N |
| PubChem CID | 3406 |
| ChEMBL | CHEMBL1308 |
| ChEBI | CHEBI:5141 |
| EC No. | 231-445-0 |
| DTXSID | DTXSID3040649 |
| 현지명 | 4-메틸피라졸 |
화학 및 물리적 성질
| XLogP | 1.4 |
|---|---|
| 극성 표면적 | 28.7 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 6 |
| 형식 전하 | 0 |
| 복잡도 | 44 |
| 녹는점 | 13°C |
| 끓는 점 | 99-100 °C6 mm Hg(lit.) |
| 밀도 | 0.993 g/mL at 25 °C(lit.) |
| 증기압 | 7.136-87.85Pa at 20-50℃ |
| 굴절률 | n20/D 1.495(lit.) |
| 인화점 | 205 °F |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 용해도 | 쉽게 용해됨 |
| pKa(산도 계수) | 14.95±0.50(Predicted) |
| 물리적 상태 | 녹은 후에 액체 |
| 색상 | 무색~황색으로 투명함 |
| 비중 | 0.993 |
| 용해도 | 녹는 |
| Merck | 14,4226 |
| BRN | 105204 |
| InChI | 1S/C4H6N2/c1-4-2-5-6-3-4/h2-3H,1H3,(H,5,6) |
| InChIKey | RIKMMFOAQPJVMX-UHFFFAOYSA-N |
| SMILES | Cc1cn[nH]c1 |
| LogP(분배 계수) | 1.097 (est) |
| NIST | 4-methylpyrazole(7554-65-6) |
화학적 성질
clear colourless to yellowish liquid after melting
안전 및 규제
| 수질 위해 등급(WGK) | 3 |
|---|---|
| RTECS 번호 | UQ7350000 |
| 운송 번호(UN) | 2810 |
| 독성 | LD50 (7 days) in mice, rats (mmol/kg): 3.8, 3.8 i.v.7.8, 6.5 orally (Magnusson) |
| 관세 코드 | 29331990 |
| 위험 문구(R) | 22-36/37/38 |
| 위험 표시 | Xn |
| 안전 문구(S) | 26-36-24/25 |
| 포장분류 | III |
| 위험 등급 | 6.1(b)Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| F 고인화성물질 | 10-23 |
| 저장 분류 | 10 - Combustible liquids |
용도
개요
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.
용도
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.
일반 설명
4-Methylpyrazole inhibits CYP2E1 activity. It also acts as alcohol dehydrogenase inhibitor.