기본 정보
- CAS
124436-59-5- 표준 SMILES
CCOC(=O)c1ccc(OCCC2CCN(c3ccc(C)nn3)CC2)cc1- InChIKey
KCHIOGFOPPOUJC-UHFFFAOYSA-N- 분자식
- C21H27N3O3
- 평균 분자량
- 369.5 g/mol
- 단동위원소 질량
- 369.20524172
개요
Pirodavir is an antipicornavirus agent.
이름 및 식별자
- 우선 이름
- Pirodavir
- IUPAC
- ethyl 4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]benzoate
- 현지명
- 피로다비르
- 영어명
- pirodavir
- 분자식
- C21H27N3O3
- 분자량
- 369.46
이름 및 동의어
Pirodavir124436-59-5PirodavirumR77975R-77975BML697718Kethyl 4-(2-(1-(6-methyl-3-pyridazinyl)-4-piperidinyl)ethoxy)benzoateethyl 4-[2-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]ethoxy]benzoate4-(2-(1-(6-Methyl-pyridazin-3-yl)-piperidin-4-yl)-ethoxy)-benzoic acid ethyl ester4-{2-[1-(6-Methyl-pyridazin-3-yl)-piperidin-4-yl]-ethoxy}-benzoic acid ethyl esterRefChem:863651ethyl 4-(2-(1-(6-methylpyridazin-3-yl)piperidin-4-yl)ethoxy)benzoate
이름 더 보기
피로다비르CS-693pirodaviPirodavir, >=99%pirodavir(R 77975)R 77975, Pirodavirpirodavir USP/EP/BP
R 77975Ethyl p-(2-(1-(6-methyl-3-pyridazinyl)-4-piperidyl)ethoxy)benzoateethyl 4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]benzoateethyl 4-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}benzoatePirodavir (USAN/INN)MFCD00866965CHEMBL298019(METHYLPYRIDAZINE PIPERIDINE ETHYLOXYPHENYL)ETHYLACETATE
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 64.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 446
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
LogP4.42
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 녹는점
- 124 · 124-125℃
- 저장 조건
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- 용해도
- 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 미색부터 페일 베이지까지
- InChI
- 1S/C21H27N3O3/c1-3-26-21(25)18-5-7-19(8-6-18)27-15-12-17-10-13-24(14-11-17)20-9-4-16(2)22-23-20/h4-9,17H,3,10-15H2,1-2H3
- InChIKey
- KCHIOGFOPPOUJC-UHFFFAOYSA-N
- SMILES
- O=C(OCC)C1=CC=C(OCCC2CCN(C3=NN=C(C)C=C3)CC2)C=C1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 3
- HS 번호
- 2933.99.7500
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요Pirodavir is a broad-spectrum antipicornaviral agent. It is active against 80 typed (MICs = 0.001-14.4 μg/ml) and one untyped rhinovirus strain (MIC = 0.002 μg/ml) and is active against both group A and group B serotypes. It is also active against serotypes of coxsackievirus, poliovirus, and echovirus enteroviruses (MICs = 0.018-8.5, 0.025-0.27, and 0.019-1.3 μg/ml, respectively).
용도Pirodavir is used to modulate lipophilicity in human rhinovirus capsid binders. It also is used in order to identify potential ativiral agents.
공급사89 곳
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海波以尔化工有限公司[email protected]
관련 반응
4건
화합물 노트
불러오는 중…