바이포나졸
바이포나졸 · mycospor · bifonazol · Bifonazole API · 1[4,ALPHA-DIPHENYLBENZYL]-IMIDAZOLE · 1-[phenyl-(4-phenylphenyl)-methyl]imidazole · 1-([1,1'-Biphenyl]-4-yl(phenyl)methyl)-1H-imidazole · Amycor
식별자 및 물리적 특성
| CAS No. | 60628-96-8 |
|---|---|
| 분자식 | C22H18N2 |
| 평균 분자량 | 310.4 g/mol |
| 단동위원소 질량 | 310.14699858 g/mol |
| SMILES | c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1 |
| InChIKey | OCAPBUJLXMYKEJ-UHFFFAOYSA-N |
| PubChem CID | 2378 |
| ChEMBL | CHEMBL277535 |
| ChEBI | CHEBI:78692 |
| EC No. | 262-336-6 |
| DTXSID | DTXSID9045631 |
| 현지명 | 바이포나졸 |
화학 및 물리적 성질
| XLogP | 4.8 |
|---|---|
| 극성 표면적 | 17.8 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 24 |
| 형식 전하 | 0 |
| 복잡도 | 362 |
| LogP(분배 계수) | 4.77 |
| 용해도 | 2.45e-03 g/L0.7 [ug/mL] (The mean of the results at pH 7.4)DMSO에 용해됨 |
| 녹는점 | 142142℃ |
| Physical Description | Solid |
| Collision Cross Section | 184.8 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]171.48 Ų [M+H]+ [CCS Type: TW177.23 Ų [M+K]+ [CCS Type: TW |
| 끓는 점 | 440.55°C (rough estimate) |
| 밀도 | 1.1150 (rough estimate) |
| 굴절률 | 1.7620 (estimate) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | 가루 |
| pKa(산도 계수) | 6.55±0.22(Predicted) |
| 색상 | 흰색에서 황백색까지 |
| Merck | 14,1213 |
| 화장품 원료 기능 | 항지루성항균 |
| InChI | InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H |
| InChIKey | OCAPBUJLXMYKEJ-UHFFFAOYSA-N |
| SMILES | C(C1C=CC=CC=1)(N1C=NC=C1)C1C=CC(C2C=CC=CC=2)=CC=1 |
| LogP(분배 계수) | 4.770 |
화학적 성질
White or almost white, crystalline powder.
안전 및 규제
| GHS 분류 | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 72 reports by companies from 4 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| 수질 위해 등급(WGK) | 1 |
| RTECS 번호 | NI3517000 |
| 독성 | LD50 in male mice, rats (mg/kg): 2629, 2854 orally (Schlüter) |
| 관세 코드 | 29332900 |
| 위험 문구(R) | 22 |
| 위험 표시 | Xn |
| 위험 등급 | Acute Tox. 4 Oral |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
Bifonazole represents the first topical broad spectrum antimycotic approved for once daily administration. Its in vitro activity appears equivalent to its structural relative clotrimazole, being effective against dermatophytes, other filamentous fungi, dimorphic fungi and yeasts.
용도
Bifonazole is an imidazole antifungal agent and calmodulin antagonist. It causes a reduction in glycolysis and ATP levels in B16 melanoma cells. Bifonazole is an inhibitor of C14orf1. Bifonazole is an imidazole-based anti-fungal agent with broad spectrum activity against many fungi, molds, yeast and some gram-positive bacteria. Bifonazole inhibits ergosterol biosynthetic protein 28 and Cytochrome P450 2B4.