プラジカンテル

ビルトリシド · プラジクアンテル · ドロンシット · エンベイ8440 · プラジカンテル · 2-(シクロヘキシルカルボニル)-1,3,4,6,7,11b-ヘキサヒドロ-2H-ピラジノ[2,1-a]イソキノリン-4-オン · 2-(シクロヘキシルカルボニル)-1,2,3,6,7,11b-ヘキサヒドロ-4H-ピラジノ[2,1-a]イソキノリン-4-オン · ピキトン

https://huagongshe.com/ja/chemical/4891

識別子と物理属性

CAS No.	55268-74-1
分子式	C19H24N2O2
平均分子量	312.4 g/mol
単同位体質量	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
現地名	プラジカンテル

化学・物理的性質

XLogP	2.7
極性表面積	40.6
水素結合供与体数	0
水素結合受容体数	2
回転可能結合数	1
重原子数	23
形式電荷	0
複雑度	472
医薬品	Pharmaceuticals
LogP（分配係数）	2.52.43
溶解度	3.81e-01 g/L>46.9 [ug/mL] (The mean of the results at pH 7.4)エタノール：可溶5mg/mLエタノールまたはジクロロメタンに溶けやすい。水にわずかに溶ける
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
融点	136-138 °C136 °C136-138 C
Physical Description	Solid
Collision Cross Section	178.5 Å² [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID9021182]162.35 Å² [M+H-H2O]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]176.5 Å² [M+H]+ [CCS Type: TW
沸点	1377℃
密度	1.1209 (rough estimate)
屈折率	1.5600 (estimate)
引火点	>110°(230°F)
貯蔵条件	Sealed in dry,Store in freezer, under -20°C
外観・状態	粉末または結晶
pKa（酸解離定数）	-0.98±0.20(Predicted)
色	EtOAc/ヘキサンからの結晶
Merck	13,7802
BRN	761557
BCS Class	2
主な用途	臨床検査
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の化学物質情報	Praziquantel (55268-74-1)

化学的特性

White Solid

安全性と法規制

GHS 分類	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.
規制情報	Praziquantel: Does not have an individual approval but may be used under an appropriate group standard
その他の安全情報	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.
毒性の概要	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)

用途

プラジカンテル (praziquantel) は、吸虫駆除剤の一つである。

説明

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.

使用

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.