Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Praziquantel
biltricide · Drontal · Praziguantel · Praziquentel · 2-(cyclohexanecarbonyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one · Cesol · Azinox · droncit
식별자 및 물리적 특성
| CAS No. | 55268-74-1 |
|---|---|
| 분자식 | C19H24N2O2 |
| 평균 분자량 | 312.4 g/mol |
| 단동위원소 질량 | 312.18377801 g/mol |
| SMILES | O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1 |
| InChIKey | FSVJFNAIGNNGKK-UHFFFAOYSA-N |
| PubChem CID | 4891 |
| ChEMBL | CHEMBL976 |
| ChEBI | CHEBI:91583 |
| EC No. | 259-559-6 |
| DTXSID | DTXSID9021182 |
화학 및 물리적 성질
| XLogP | 2.7 |
|---|---|
| 극성 표면적 | 40.6 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 23 |
| 형식 전하 | 0 |
| 복잡도 | 472 |
| 의약품 | Pharmaceuticals |
| LogP(분배 계수) | 2.52.43 |
| 용해도 | 3.81e-01 g/L>46.9 [ug/mL] (The mean of the results at pH 7.4)에탄올: 용해성5mg/mL |
| Human Drugs | Breast FeedingLactationMilk, HumanAnti-Infective AgentsAnthelminticsAntiparasitic AgentsFDA approved drugs -> Active ingredientAntischistosomals and other antitrematode medicines |
| Animal Drugs | EMA approved medicines: Veterinary medicineActive Ingredients (Praziquantel) -> FDA GreenbookPharmaceuticals -> UK Veterinary Medicines Directorate ListPharmaceuticals -> Animal Drugs -> Approved in Taiwan |
| 녹는점 | 136-138 °C136 °C136-138 C |
| Physical Description | Solid |
| Collision Cross Section | 178.5 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID9021182]162.35 Ų [M+H-H2O]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]176.5 Ų [M+H]+ [CCS Type: TW |
| 끓는 점 | 1377℃ |
| 밀도 | 1.1209 (rough estimate) |
| 굴절률 | 1.5600 (estimate) |
| 인화점 | >110°(230°F) |
| 저장 조건 | Sealed in dry,Store in freezer, under -20°C |
| 물리적 상태 | 분말 또는 결정 |
| pKa(산도 계수) | -0.98±0.20(Predicted) |
| 색상 | 초산 에틸렌/헥산으로부터 얻은 결정입니다 |
| 용해도 | 에탄올이나 디클로로메탄에 잘 녹습니다. 물에 약간 용해됨 |
| Merck | 13,7802 |
| BRN | 761557 |
| BCS Class | 2 |
| 주요 응용 | 임상 시험 |
| InChI | 1S/C19H24N2O2/c22-18-13-20(19(23)15-7-2-1-3-8-15)12-17-16-9-5-4-6-14(16)10-11-21(17)18/h4-6,9,15,17H,1-3,7-8,10-13H2 |
| InChIKey | FSVJFNAIGNNGKK-UHFFFAOYSA-N |
| SMILES | O=C1CN(CC2N1CCc3ccccc23)C(=O)C4CCCCC4 |
| EPA | Praziquantel (55268-74-1) |
화학적 성질
White Solid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 1.8% (2 of 113) of reports.H412 (91.2%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 113 reports by companies from 7 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Praziquantel: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - 4H-Pyrazino[2,1-a]isoquinolin-4-one, 2-(cyclohexylcarbonyl)-1,2,3,6,7,11b-hexahydro-: Environment tier I assessment |
| Hazard Classes and Categories | Aquatic Chronic 3 (91.2%) |
| Hepatotoxicity | Praziquantel therapy has been associated with elevations in serum aminotransferase levels in up to 27% of patients, but these abnormalities were self-limiting. Praziquantel has been rarely associated with clinically apparent liver injury, which generally accompanied hypersensitivity reactions such as rash and fever. In a large retrospective survey from China, 2 of 25,000 treated patients were reported to have developed jaundice after praziquantel therapy, but no specific information about the two cases was provided. There have been few studies of long term therapy with praziquantel, and most controlled trials of this agent have used one day courses without serum aminotransferase monitoring. However, millions of people have been treated with praziquantel as a part of large scale control strategies in China where schistosomiasis Japonica is endemic. The combination of praziquantel preventive therapy and snail control has resulted in marked decreases in the prevalence of infection in the population with no evidence of significant toxicity. Thus, mild acute liver injury can accompany systemic hypersensitivity reactions to praziquantel, but both the allergic reaction and the liver injury tend to be short-lived and resolve rapidly even without specific therapy. |
| 독성 요약 | Praziquantel is the drug of choice for the treatment of all forms of schistosomiasis. It has low toxicity and mild side effectshowever, a major weakness is its relative inefficacy against recent infections, and this might occasionally result in low cure rates in hyperendemic areas. |
| Drug Induced Liver Injury | Drug Induced Liver Injury Rank (DILIrank 2.0)PraziquantelAmbiguous-DILI-concern3Warnings & precautionsDOI:10.1016/j.drudis.2016.02.015 |
| Effects During Pregnancy and Lactation | ◉ Summary of Use during Lactation |
| 수질 위해 등급(WGK) | 1 |
| RTECS 번호 | UQ4150000 |
| 독성 | LD50 in mice, rats (mg/kg): 2000-3000 orally>3000 s.c. (Muermann) |
| 관세 코드 | 29339900 |
| 위험 문구(R) | 11-34 |
| 위험 표시 | F,C |
| 안전 문구(S) | 16-26-36/37/39-45-24/25 |
| 위험 등급 | Aquatic Chronic 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
Praziquantel (PZQ) is an isoquinoline derivative with most of the biological activity found in the levo enantiomer. The compound has no activity against nematodes, but it is highly effective against cestodes and trematodes.
용도
Praziquantel is a potent anthelmintic used against schistosome and many cestode infestations. It is used to study voltage-gated Ca2+ channels and is a potential small molecule neurogenic.