1-(3-chlorophenyl)-3-(3-methyl-5-oxo-4H-imidazol-2-yl)urea;hydrate
기본 정보
- CAS
63540-28-3- 표준 SMILES
CN1CC(=O)NC1=NC(=O)Nc1cccc(Cl)c1.O- InChIKey
UNFQKKSADLVQJE-UHFFFAOYSA-N- 분자식
- C11H13ClN4O3
- 평균 분자량
- 284.7 g/mol
- 단동위원소 질량
- 284.067618
이름 및 식별자
- 우선 이름
- 1-(3-chlorophenyl)-3-(3-methyl-5-oxo-4H-imidazol-2-yl)urea;hydrate
- IUPAC
- 1-(3-chlorophenyl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea;hydrate
- 영어명
- 3-(3-chlorophenyl)-1-(1-methyl-4-oxo-5H-imidazol-2-yl)urea hydrate
- 분자식
- C11H13ClN4O3
- 분자량
- 0
이름 및 동의어
3-(3-CHLOROPHENYL)-1-(1-METHYL-4-OXO-5H-IMIDAZOL-2-YL)UREA HYDRATEorb1740521SCHEMBL7319975SCHEMBL10751342DTXSID609797631-(3-chlorophenyl)-3-(1-methyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl)urea hydrateDB-2935501-(3-chlorophenyl)-3-(3-methyl-5-oxo-4H-imidazol-2-yl)urea;hydrateN'-(3-Chlorophenyl)-N-(4-hydroxy-1-methyl-1,5-dihydro-2H-imidazol-2-ylidene)carbamimidic acid--water (1/1)Unii-07o6708m02Fenobam (hydrate)Fenobam [usan:inn]
데이터베이스 식별자
- CAS
63540-28-3- PubChem CID
- 136242243
- DTXSID
DTXSID60979763
물성
구조 계산 물성
- 극성 표면적
- 74.8 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 385
물리화학적 성질
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 100 mM · DMSO: 100 mM
- 물리적 상태
- 결정성 고체
화학 및 산업
응용 분야
개요Fenobam is a noncompetitive antagonist and inverse agonist of metabotropic glutamate receptor 5 (mGluR5) that binds to an allosteric site. It inhibits intracellular calcium mobilization induced by the glutamate analog quisqualate in HEK293 cells expressing the human receptor (IC50 = 58 nM) and inhibits basal activity of mGluR5 in a cell-based assay (IC50 = 84 nM). Fenobam (10 and 30 mg/kg) reduces stress-induced hyperthermia in mice and increases drinking time in the Vogel conflict test in rats when administered at a dose of 30 mg/kg, indicating anxiolytic-like activity. It induces analgesia in the formalin test in mice when administered at a dose of 30 mg/kg.
용도Sedative-hypnotic.
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