기본 정보
- CAS
18694-40-1- 표준 SMILES
COc1cc(C)nc(-n2nc(C)cc2OC)n1- InChIKey
RHAXSHUQNIEUEY-UHFFFAOYSA-N- 분자식
- C11H14N4O2
- 평균 분자량
- 234.25 g/mol
- 단동위원소 질량
- 234.1116757
개요
Epirizole is an aromatic ether.
이름 및 식별자
- 우선 이름
- Epirizole
- IUPAC
- 4-methoxy-2-(5-methoxy-3-methylpyrazol-1-yl)-6-methylpyrimidine
- 영어명
- Epirizole
- 분자식
- C11H14N4O2
- 분자량
- 234.25
이름 및 동의어
epirizoleMepirizole18694-40-1MebronMethopyrimazole4-Methoxy-2-(5-methoxy-3-methyl-1H-pyrazol-1-yl)-6-methylpyrimidineDA-3984-Methoxy-2-(5-methoxy-3-methylpyrazol-1-yl)-6-methylpyrimidineDTXSID40454223B46O2FH8IPyrimidine, 4-methoxy-2-(5-methoxy-3-methyl-1H-pyrazol-1-yl)-6-methyl-DTXCID2025422
이름 더 보기
DalexEpirizole USP/EP/BPEpirizole, 10 mM in DMSO4-methoxy-2-(5-methoxy-3-methylpyrazol-1-yl)-6-methylpyrimidin
RefChem:590943242-507-1MepirizolEpirizolum [INN-Latin]Epirizol1-(4-Methoxy-6-methyl-2-pyrimidinyl)-3-methyl-5-methoxypyrazoleMLS0000288442-(3-Methoxy-5-methylpyrazol-2-yl)-4-methoxy-6-methylpyrimidine
데이터베이스 식별자
- CAS
18694-40-1- PubChem CID
- 3242
- DTXSID
DTXSID4045422- ChEMBL
CHEMBL1411693- ChEBI
CHEBI:31545- UNII
- 3B46O2FH8I
- EC Number
- 242-507-1
- Nikkaji
- J3.453C
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 62.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 254
실험 및 물리화학적 성질
Drugs
Pharmaceuticals -> Listed in ZINC15
Pharmaceutical
LogP1.35
Solubility>35.1 [ug/mL] (The mean of the results at pH 7.4)
Melting Point90-92
물리화학적 성질
- 녹는점
- 90 · 90-92°
- 끓는 점
- 376.57 °C · 376.57°C (rough estimate)
- 밀도
- 1.1972 · 1.1972 (rough estimate)
- 굴절률
- 1.6 · 1.6000 (estimate)
- 저장 조건
- 2 · Sealed in dry,2-8°C
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 0.65 · 0.65±0.50(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- rtecs
- UV9290000
- 독성
- LD50 orally in mice: 820 mg/kg (Ogura)
- risk_code
- 20/21/22-36/37/38
- hazard_code
- Xn
- safety_code
- 26-36
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
응용 분야
용도Mepirizole induces precocious differentiation of insulin-producing ti-cells in larval zebrafish. Also, it increases the expression of MDR1 mRNA in Caco-2 cells; Non-acidic analgesic.
상·하류 제품 정보
상류 원료
공급사26 곳
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
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