Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
5-메틸-1H-피라졸-3-카르복실산
5-메틸-1H-피라졸-3-카르복실산 · 5-METHYLPYRAZOLE-3-CARBOXYLIC ACID · U-19425 · AS057278 · AKOS B000144 · AKOS PAO-0003 · BUTTPARK 43\57-89 · BUTTPARK 52\11-25
식별자 및 물리적 특성
| CAS No. | 402-61-9 |
|---|---|
| 분자식 | C5H6N2O2 |
| 평균 분자량 | 126.11 g/mol |
| 단동위원소 질량 | 126.04292743 g/mol |
| SMILES | Cc1cc(C(=O)O)n[nH]1 |
| InChIKey | WSMQKESQZFQMFW-UHFFFAOYSA-N |
| PubChem CID | 9822 |
| ChEMBL | CHEMBL391574 |
| ChEBI | CHEBI:74739 |
| EC No. | 673-162-9 |
| DTXSID | DTXSID50193198 |
| 현지명 | 5-메틸-1H-피라졸-3-카르복실산 |
화학 및 물리적 성질
| XLogP | 0.5 |
|---|---|
| 극성 표면적 | 66 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 126 |
| 녹는점 | 241 °C |
| 끓는 점 | 388.8±22.0 °C(Predicted) |
| 밀도 | 1.404±0.06 g/cm3(Predicted) |
| 저장 조건 | Keep in dark place,Sealed in dry,Room Temperature |
| 용해도 | 디메틸설폭사이드에 용해됩니다. |
| 물리적 상태 | powder to crystal |
| pKa(산도 계수) | 15.36±0.10(Predicted) |
| 색상 | 흰색에서 노란색, 주황색으로 |
| InChI | InChI=1S/C5H6N2O2/c1-3-2-4(5(8)9)7-6-3/h2H,1H3,(H,6,7)(H,8,9) |
| InChIKey | WSMQKESQZFQMFW-UHFFFAOYSA-N |
| SMILES | N1C(C)=CC(C(O)=O)=N1 |
화학적 성질
White to light yellow solid
안전 및 규제
| GHS 분류 | WarningH302+H312+H332 (25%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (25%) |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | UQ6407500 |
| 관세 코드 | 29331990 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-37/39 |
| 위험 등급 | IRRITANT |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
3-Methylpyrazole-5-carboxylic acid is a potent and selective D-amino acid oxidase (DAO) (also known as DAAO, DAMOX and OXDA) inhibitor that protects DAO cells from oxidative stress induced by D-Serine. 3-Methylpyrazole-5-carboxylic acid specifically prevents formalin-induced tonic pain.
일반 설명
3-Methylpyrazole-5-carboxylic acid is a potent and selective D-amino acid oxidase (DAO) (also known as DAAO, DAMOX and OXDA) inhibitor that protects DAO cells from oxidative stress induced by D-Serine. 3-Methylpyrazole-5-carboxylic acid specifically prevents formalin-induced tonic pain.