기본 정보
- CAS
124858-35-1- 표준 SMILES
CC1CCc2c(N3CCC(O)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23- InChIKey
JYJTVFIEFKZWCJ-UHFFFAOYSA-N- 분자식
- C19H21FN2O4
- 평균 분자량
- 360.4 g/mol
- 단동위원소 질량
- 360.14853532
개요
Nadifloxacin is a pyridoquinoline, a heteroarylpiperidine, a hydroxypiperidine and a quinolone antibiotic. It has a role as an antibacterial drug.
이름 및 식별자
- 우선 이름
- Nadifloxacin
- IUPAC
- 7-fluoro-8-(4-hydroxypiperidin-1-yl)-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid
- 영어명
- Nadifloxacin
- 분자식
- C19H21FN2O4
- 분자량
- 360.38
이름 및 동의어
nadifloxacin124858-35-1jinofloxacinAcuatimNadifloxacineOPC-7251NadixaNadifloxacinoOpc 7251NadifloxacinumNDFXDTXSID5046483
이름 더 보기
Acuatiopc7251NadifloNafloxacinNadiroxisanNadifiloxacin
6CL9Y5YZEQNSC-759622CHEBI:318891H,5H-Benzo[ij]quinolizine-2-carboxylic acid, 9-fluoro-6,7-dihydro-8-(4-hydroxy-1-piperidinyl)-5-methyl-1-oxo-DTXCID30264831H,5H-Benzo(ij)quinolizine-2-carboxylic acid, 9-fluoro-6,7-dihydro-8-(4-hydroxy-1-piperidinyl)-5-methyl-1-oxo-, (+-)-7-fluoro-8-(4-hydroxypiperidin-1-yl)-12-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylic acid1H,5H-Benzo(ij)quinolizine-2-carboxylic acid, 9-fluoro-6,7-dihydro-8-(4-hydroxy-1-piperidinyl)-5-methyl-1-oxo-
데이터베이스 식별자
- CAS
124858-35-1- PubChem CID
- 4410
- DTXSID
DTXSID5046483- ChEMBL
CHEMBL363449- ChEBI
CHEBI:31889- UNII
- 6CL9Y5YZEQ
- EC Number
- 638-863-6
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 81.1 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 631
실험 및 물리화학적 성질
Drugs
Pharmaceuticals -> Anti infectives for systemic use -> Antibacterials for systemic use
Pharmaceuticals -> Antibiotics
Pharmaceuticals
LogP1.89
물리화학적 성질
- 녹는점
- 245 · 245-2470C (dec)
- 끓는 점
- 624.9 · 624.9±55.0 °C(Predicted)
- 밀도
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨, 가열)
- 산도 계수 (pKa)
- 5.55 · 5.55±0.40(Predicted)
- 물리적 상태
- 백색 내지 황색 결정성 고체.
- 색상
- 흰색에서 황백색까지
- 생물학적 소스
- synthetic (Organic)
- Merck
- 14 · 14,6345
- InChI
- InChI=1S/C19H21FN2O4/c1-10-2-3-12-16-13(18(24)14(19(25)26)9-22(10)16)8-15(20)17(12)21-6-4-11(23)5-7-21/h8-11,23H,2-7H2,1H3,(H,25,26)
- InChIKey
- JYJTVFIEFKZWCJ-UHFFFAOYSA-N
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H362 (100%): May cause harm to breast-fed children [Reproductive toxicity, effects on or via lactation]
P203, P260, P263, P264, P270, P318, P319, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesLact. (100%)
안전 데이터
- wgk
- WGK 3
- 독성
- LD50 male, female mice and rats (mg/kg): 376.5, 420.6, 225.7, 240.5 i.v. (Hashimoto)
- HS 번호
- 2933.99.7500
- 스토리지 클래스
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
화학 및 산업
약리 정보
ATC Code
D - Dermatologicals
QD - Dermatologicals
PharmacodynamicsNadifloxacin has anti-inflammatory properties. It attenuated the release of proinflammatory cytokines by human peripheral blood mononuclear cells and normal human keratinocytes.
Mechanism of ActionThe exact mechanism of action of nadifloxacin has not been fully elucidated.
MeSH Pharmacological Classification
Substances that inhibit the growth or reproduction of BACTERIA.
Compounds that inhibit the activity of DNA TOPOISOMERASE II. Included in this category are a variety of ANTINEOPLASTIC AGENTS which target the eukaryotic form of topoisomerase II and ANTIBACTERIAL AGENTS which target the prokaryotic form of topoisomerase II.
용도 및 제조
UsesUse (kg; approx.) in Germany (2009): >10
응용 분야
개요Nadifloxacin, one of the three new fluoroquinolone antibiotics launched in 1993 is indicated for topical treatment of acne vulgaris and other skin infections. Nadifloxacin has a potent and broad spectrum of activity against aerobic Gram-positive and -negative bacteria and against anaerobic bacteria. It produces significant improvement in patients with Propionibacterium acnes infection and does not appear to cause cross-resistance to other antibiotic agents. Its potent antimicrobial activity has also been demonstrated in the Pseudomonas aeruginosa burn wound infection model in mice. Nadifloxacin exerts its antibiotic activity by inhibiting the formation of supercoiled DNA by DNA gyrase.
용도Nadifloxacin is a topical fluorinated quinolone antibacterial used to treat skin conditions such as acne and other dermal infections caused by bacteria. This drug belongs to a class of calcium salt of polyacrylic acid crosslinked with divinyl glycol with minimal AEs.
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5건
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