기본 정보
- CAS
75444-65-4- 표준 SMILES
Cc1nc2ccccn2c(=O)c1CCN1CCC(C(=O)c2ccc(F)cc2)CC1- InChIKey
HXCNRYXBZNHDNE-UHFFFAOYSA-N- 분자식
- C23H24FN3O2
- 평균 분자량
- 393.5 g/mol
- 단동위원소 질량
- 393.18525523
개요
3-[2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]ethyl]-2-methyl-4-pyrido[1,2-a]pyrimidinone is an aromatic ketone.
이름 및 식별자
- 우선 이름
- Pirenperone
- IUPAC
- 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
- 현지명
- 피렌페론
- 영어명
- PIRENPERONE
- 분자식
- C23H24FN3O2
- 분자량
- 393.45
이름 및 동의어
Pirenperone75444-65-4PirenperonaPirenperonumDTXSID9045182R-47,465R-47465NSC-760095Y9FMC4513X4H-Pyrido(1,2-a)pyrimidin-4-one, 3-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-2-methyl-DTXCID70251823-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methylpyrido[2,1-b]pyrimidin-4-one
이름 더 보기
피렌페론PIRENPERONE (R-47,465) >97% SEROTONIN 5- HT2 ANTAG3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one3-[2-[4-(4-Fluorobenzoyl)piperidino]ethyl]-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one3-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)ethyl)-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one4H-Pyrido[1,2-a]pyrimidin-4-one,3-[2-[4-(4-fluorobenzoyl)-1-piperidinyl]ethyl]-2-methyl-R-47,465, 3-[2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl]-2-methyl-4H-pyrido-[1,2-a] pyrimidin-4-oneR 47465,anxiolytic activity,Pirenperone,5-HT Receptor,Inhibitor,R47465,inhibit,5-hydroxytryptamine Receptor,Serotonin Receptor,R-47465
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 53 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 782
실험 및 물리화학적 성질
Collision Cross Section
195.72 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
196.8 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 끓는 점
- 556.3 · 556.3±60.0 °C(Predicted)
- 밀도
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 0.1 M · 0.1M HCl: 11mg/mL
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 7.91 · 7.91±0.10(Predicted)
- 색상
- 연노랑
- 수용성
- Water: Insoluble
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
화학 및 산업
약리 정보
MeSH Pharmacological Classification
A traditional grouping of drugs said to have a soothing or calming effect on mood, thought, or behavior. Included here are the ANTI-ANXIETY AGENTS (minor tranquilizers), ANTIMANIC AGENTS, and the ANTIPSYCHOTIC AGENTS (major tranquilizers). These drugs act by different mechanisms and are used for different therapeutic purposes.
응용 분야
용도Pirenperone is a 5-HT2 serotonin receptor antagonist. Pirenperone also increases phosphorylation in human glioma cells by inhibiting cellular gap junctions.
공급사30 곳
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