바이포나졸

Bifonazole

HCID 2378CAS 60628-96-8

기본 정보

표준 SMILES
c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1
InChIKey
OCAPBUJLXMYKEJ-UHFFFAOYSA-N
분자식
C22H18N2
평균 분자량
310.4 g/mol
단동위원소 질량
310.14699858

이름 및 식별자

우선 이름
Bifonazole
IUPAC
1-[phenyl-(4-phenylphenyl)methyl]imidazole
현지명
바이포나졸
영어명
Bifonazole
분자식
C22H18N2
분자량
310.39

이름 및 동의어

bifonazole60628-96-8MycosporTrifonazoleBifonazolBAY H 4502BifonazolumBay H-45021-((4-Biphenylyl)phenylmethyl)-1H-imidazole1-(alpha-(4-Biphenylyl)benzyl)imidazoleBay-h-4502(+-)-1-(p,alpha-Diphenylbenzyl)imidazole
이름 더 보기
바이포나졸Bifonazole API1[4,ALPHA-DIPHENYLBENZYL]-IMIDAZOLE1-[phenyl-(4-phenylphenyl)-methyl]imidazole1-([1,1'-Biphenyl]-4-yl(phenyl)methyl)-1H-imidazoleAmycorBedridA-One-LAzolmen
DTXSID9045631NSC-758954QYJ305Z91OD01AC10DTXCID70256311-((4-biphenylyl)-phenylmethyl)-1H-imidazole1H-Imidazole, 1-((1,1'-biphenyl)-4-ylphenylmethyl)-, (+-)-1-(phenyl(4-phenylphenyl)methyl)-1H-imidazole

데이터베이스 식별자

CAS
60628-96-8
PubChem CID
2378
DTXSID
DTXSID9045631
ChEMBL
CHEMBL277535
ChEBI
CHEBI:78692
UNII
QYJ305Z91O
EC Number
262-336-6
Nikkaji
J17.988D

물성

구조 계산 물성

XLogP
4.8
극성 표면적
17.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
4
무거운 원자 수
24

실험 및 물리화학적 성질

LogP · 2건

4.77

4.77

Solubility · 2건

2.45e-03 g/L

0.7 [ug/mL] (The mean of the results at pH 7.4)

Melting Point142
Physical DescriptionSolid
Collision Cross Section · 2건

184.8 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

171.48 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards];177.23 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점
142 ℃ · 142℃
끓는 점
440.55 °C · 440.55°C (rough estimate)
밀도
1.115 · 1.1150 (rough estimate)
굴절률
1.762 · 1.7620 (estimate)
저장 조건
Sealed in dry,Room Temperature
용해도
DMSO에 용해됨

화학적 성질

White or almost white, crystalline powder.

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk
1
rtecs
NI3517000
독성
LD50 in male mice, rats (mg/kg): 2629, 2854 orally (Schlüter)
HS 번호
29332900
risk_code
22
hazard_code
Xn

화학 및 산업

약리 정보

ATC Code · 3건

D01AC10

D - Dermatologicals;D01 - Antifungals for dermatological use;D01A - Antifungals for topical use;D01AC - Imidazole and triazole derivatives;D01AC10 - Bifonazole

QD - Dermatologicals;QD01 - Antifungals for dermatological use;QD01A - Antifungals for topical use;QD01AC - Imidazole and triazole derivatives;QD01AC10 - Bifonazole

PharmacodynamicsBifonazole is a type of antifungal medicine known as an imidazole. It kills fungi and yeasts by interfering with their cell membranes.
Mechanism of Action · 1건

Bifonazole works by inhibiting the production of a substance called ergosterol, which is an essential component of fungal cell membranes.It acts to destabilize the fungal cyctochrome p450 51 enzyme (also known as Lanosterol 14-alpha demethylase). This is vital in the cell membrance structure of the fungus. Its inhibition leads to cell lysis. The disruption in production of ergosterol disrupts the cell membrane and causes holes to appear. The cell membranes of fungi are vital for their survival. They keep unwanted substances from entering the cells and stop the contents of the cells from leaking out. As bifonazole causes holes to appear in the cell membranes, essential constituents of the fungal cells can leak out. This kills the fungi.

Biological Half-Life1-2 hours
Metabolism/MetabolitesHepatic.
MeSH Pharmacological ClassificationSubstances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues.

용도 및 제조

UsesUse (kg; approx.) in Germany (2009): >250;Consumption (g per capita; approx.) in Germany (2009): 0.00305;Calculated removal (%): 92.3
응용 분야 · 2건

개요Bifonazole 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.

용도Bifonazole 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.

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉灵灵九生物科技有限公司15623309010
T&W GROUP021-61551611 13296011611 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]

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