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Prulifloxacin

HCID 65947
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
123447-62-1
표준 SMILES
Cc1oc(=O)oc1CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3C(C)S2)CC1
InChIKey
PWNMXPDKBYZCOO-UHFFFAOYSA-N
분자식
C21H20FN3O6S
평균 분자량
461.5 g/mol
단동위원소 질량
461.1056847

개요

Prulifloxacin is a quinolone antibiotic and a fluoroquinolone antibiotic.

이름 및 식별자

우선 이름
Prulifloxacin
IUPAC
6-fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]piperazin-1-yl]-4-oxo-1H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid
영어명
Prulifloxacin
분자식
C21H20FN3O6S
분자량
461.46

이름 및 동의어

Prulifloxacin123447-62-1PruvelNM441SwordNM-441NM 441prulifloxacineprulifloxacinoDTXSID0046480prulifloxacinumJ42298IESW
이름 더 보기
CS-1352QuisnonAF 3012PlumfloxacinPrulioxacin-d8
NSC-759833DTXCID80264801H,4H-(1,3)Thiazeto(3,2-a)quinoline-3-carboxylic acid, 6-fluoro-1-methyl-7-(4-((5-methyl-2-oxo-1,3-dioxol-4-yl)methyl)-1-piperazinyl)-4-oxo-1H,4H-[1,3]Thiazeto[3,2-a]quinoline-3-carboxylic acid, 6-fluoro-1-methyl-7-[4-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]-1-piperazinyl]-4-oxo-RefChem:176763J01MA176-fluoro-1-methyl-7-(4-(5-methyl-2-oxo-1,3-dioxelen-4-yl)methyl-1-piperazinyl)-4-oxo-4H-(1,3)thiazeto(3,2-a)quinoline-3-carboxylic acid(RS)-6-Fluoro-1-methyl-7-(4-(5-methyl-2-oxo-1,3-dioxolen-4-yl)methyl-1-piperazinyl)-4-oxo-4H-(1,3)thiazeto(3,2-a)quinoline-3-carboxylic acid

데이터베이스 식별자

CAS
123447-62-1
PubChem CID
65947
DTXSID
DTXSID0046480
ChEMBL
CHEMBL422648
ChEBI
CHEBI:32071
UNII
J42298IESW

물성

구조 계산 물성

XLogP
1
극성 표면적
125 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
11
회전 가능 결합 수
4
무거운 원자 수
32
형식 전하
0
복잡도
930

실험 및 물리화학적 성질

Drugs · 2건

Pharmaceuticals -> Anti infectives for systemic use -> Antibacterials for systemic use

Pharmaceuticals -> Antibiotics

물리화학적 성질

녹는점
211 · 211-214°C
끓는 점
633.2 · 633.2±65.0 °C(Predicted)
밀도
1.62 · 1.62±0.1 g/cm3(Predicted)
저장 조건
-20 °C · Sealed in dry,Store in freezer, under -20°C
용해도
1 M · 1 M NaOH: 가용성 25ML, 투명, 무색 (용매: 1 mg + 25 mL의 NaOH)
산도 계수 (pKa)
5.85 · 5.85±0.40(Predicted)
물리적 상태
백색 내지 황색 결정성 고체.
색상
황백색에서 연한 노란색
Merck
14 · 14,7908
InChI
InChI=1S/C21H20FN3O6S/c1-10-16(31-21(29)30-10)9-23-3-5-24(6-4-23)15-8-14-12(7-13(15)22)18(26)17(20(27)28)19-25(14)11(2)32-19/h7-8,11H,3-6,9H2,1-2H3,(H,27,28)
InChIKey
PWNMXPDKBYZCOO-UHFFFAOYSA-N
SMILES
N12C(C)SC1=C(C(O)=O)C(=O)C1=C2C=C(N2CCN(CC3=C(C)OC(=O)O3)CC2)C(F)=C1

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]

P203, P260, P263, P264, P270, P280, P302+P352, P318, P319, P321, P332+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 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 CategoriesSkin Irrit. 2 (50%)

안전 데이터

wgk
WGK 3
rtecs
XJ0600000
HS 번호
2941.90.3000
Hazard Classifications
Lact.Skin Irrit. 2STOT RE 2
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

ATC Code · 2건

J - Antiinfectives for systemic use

QJ - Antiinfectives for systemic use

MeSH Pharmacological Classification · 2건

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.

응용 분야 · 2건

개요Prulifloxacin was launched as the third fluoroquinone. It was introduced in Japan as an oral treatment for urinary tract infections (UTls), respiratory tract infections (RTls) and bacterial pneumoniae. It can be synthesized in 10 steps from commercially available 3,4-difluoroaniline. Key steps involve the cyclization of 6,7-difluoro-rl-hydroxy-2- thioquinoline-3carboxylic acid ethyl ester with 1 ,I-dibromomethane to give the corresponding thiazeto-[3,2a]quinoline. Aromatic nucleophilic substitution of the 7-fluoro atom with piperazine followed by hydrolysis of the ethyl ester and finally alkylation of the piperazinyl moiety with 4-(bromomethyl)-5-methyl-l ,bdioxol-Bone complete the synthesis. Prulifloxacin is a lipophilic prodrug, which is rapidly hydrolyzed to the corresponding Ndealkylated piperazine, NM 394, by paraoxonase type enzymes in blood and liver following intestinal absorption. The DNA gyrase inhibitor NM 394 accounts for all antimicrobial activity: it shows a similar or greater activity against gram-positive bacteria compared to ciprofloxacin, and a greater activity in the case of gram-negative bacteria. In clinical studies, prulifloxacin has shown good efficacy against UTls and RTls. The drug is mainly excreted in the urine and in the feces as unchanged NM 394, which has a plasma half-life of approximately 8 h. Phototoxicity in animal models is less severe than with other quinolones. Prulifloxacin is well tolerated with an adverse effect profile similar to that of other fluoroquinolones.

용도Prulifloxacin is a synthetic chemotherapeutic antibiotic of the fluoroquinolone drug class. Prulifloxacin is a prodrug for active metabolite, Ulifloxacin. Antibacterial.

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화합물 노트

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이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
EC Number
819-932-1
Nikkaji
J561.792H

화학적 성질

Off-White Solid

상·하류 제품 정보

상류 원료

4-브로모메틸-5-메틸-1,3-디옥솔-2-온6-Fluoro-1-methyl-4-oxo-7-(1-piperazinyl)-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylic acid이탄산 칼륨N,N-다이메틸폼아마이드

공급사100 곳

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