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CID 6956367

HCID 6956367
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
110871-86-8
표준 SMILES
C[C@@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)C[C@H](C)[NH2+]1
InChIKey
DZZWHBIBMUVIIW-DTORHVGOSA-N
분자식
C19H22F2N4O3
평균 분자량
392.4 g/mol
단동위원소 질량
392.1659969

개요

Sparfloxacin is a fluoroquinolone antibiotic indicated for bacterial infections. Sparfloxacin exerts its antibacterial activity by inhibiting DNA gyrase, a bacterial topoisomerase. DNA gyrase is an essential enzyme which controls DNA topology and assists in DNA replication, repair, deactivation, and transcription.

이름 및 식별자

우선 이름
CID 6956367
IUPAC
5-amino-1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-4-ium-1-yl]-6,8-difluoro-4-oxoquinoline-3-carboxylate
영어명
Sparfloxacin
분자식
C19H22F2N4O3
분자량
392.4

이름 및 동의어

ParoxZagamci978Sparaat4140SparcinRP-64206CP 103826PD 1315-1Sparfloxacin

데이터베이스 식별자

CAS
110871-86-8
PubChem CID
6956367

물성

구조 계산 물성

XLogP
0.8
극성 표면적
106 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
8
회전 가능 결합 수
2
무거운 원자 수
28
형식 전하
0
복잡도
685

실험 및 물리화학적 성질

LogP2.5
Solubility · 2건

Practically insoluble

1.13e-01 g/L

Physical DescriptionSolid

물리화학적 성질

녹는점
265 °C · 265°C
끓는 점
640 ℃ · 640℃
밀도
1.436 · 1.436±0.06 g/cm3(Predicted)
인화점
110 ° · >110°(230°F)
저장 조건
2 · Keep in dark place,Inert atmosphere,2-8°C
용해도
10 mg/ml; · DMF: 10 mg/ml; DMF:PBS(pH 7.2)(1:1): 0.50 mg/ml
산도 계수 (pKa)
1 · pKa1 6.25, pKa2 9.30(at 25℃)
물리적 상태
가루
색상
흰색에서 밝은 노란색
생물학적 소스
synthetic
수용성
9 mg/ml에서 · 9mg/ml에서 DMSO에 용해됩니다. 물에 거의 녹지 않음
BRN
9170271 · 9170271
InChI
InChI=1/C19H22F2N4O3/c1-8-5-24(6-9(2)23-8)17-13(20)15(22)12-16(14(17)21)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6,22H2,1-2H3,(H,27,28)/t8-,9+

안전 및 규제

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

안전 데이터

wgk
2
rtecs
VB1986500
HS 번호
29339900
risk_code
36/37/38
hazard_code
Xi
safety_code
26-36
Hazard Classifications
Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

Protein BindingLow plasma protein binding in serum at about 45%.
Pharmacodynamics · 1건

Sparfloxacin is a synthetic fluoroquinolone broad-spectrum antimicrobial agent in the same class as ofloxacin and norfloxacin. Sparfloxacin has in vitro activity against a wide range of gram-negative and gram-positive microorganisms. Sparfloxacin exerts its antibacterial activity by inhibiting DNA gyrase, a bacterial topoisomerase. DNA gyrase is an essential enzyme which controls DNA topology and assists in DNA replication, repair, deactivation, and transcription. Quinolones differ in chemical structure and mode of action from (beta)-lactam antibiotics. Quinolones may, therefore, be active against bacteria resistant to (beta)-lactam antibiotics. Although cross-resistance has been observed between sparfloxacin and other fluoroquinolones, some microorganisms resistant to other fluoroquinolones may be susceptible to sparfloxacin. In vitro tests show that the combination of sparfloxacin and rifampin is antagonistic against Staphylococcus aureus.

Mechanism of ActionThe bactericidal action of sparfloxacin results from inhibition of the enzymes topoisomerase II (DNA gyrase) and topoisomerase IV, which are required for bacterial DNA replication, transcription, repair, and recombination.
Biological Half-LifeMean terminal elimination half-life of 20 hours (range 16-30 hours). Prolonged in patients with renal impairment (creatinine clearance <50 mL/min).
Metabolism/MetabolitesHepatic. Metabolized primarily by phase II glucuronidation to form a glucuronide conjugate. Metabolism does not utilize or interfere with the cytochrome P450 enzyme system.
Absorption, Distribution and Excretion · 1건

Well absorbed following oral administration with an absolute oral bioavailability of 92%. Unaffected by administration with milk or food, however concurrent administration of antacids containing magnesium hydroxide and aluminum hydroxide reduces the oral bioavailability of sparfloxacin by as much as 50%.

관련 반응

0건
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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
InChIKey
DZZWHBIBMUVIIW-DTORHVGONA-N
SMILES
N1(C2CC2)C2=C(C(N)=C(F)C(N3C[C@H](C)N[C@H](C)C3)=C2F)C(=O)C(C(O)=O)=C1 |&1:13,16,r|

화학적 성질

Light yellow powder

Cellular Locations
Cytoplasm
응용 분야 · 1건

개요Sparfloxacin is the most potent fluoroquinolone antibiotic introduced for the treatment of community acquired infections. It has superior and broad in vitro activity against members of family Enterobacferiaceae and anaerobic bacteria, some of which are resistant toβ-lactam antibiotics or to aminoglycosides. In patients with surgical infections, sparfloxacin shows excellent activity against resistant pathogens. It is effective in treating patients with bladder irritability and is reported to have potential in the treatment of leprosy and Mycobacterium tuberculosis in mice. Favorable pharmacokinetic properties, good intracellular penetration and a lack of transferable resistance have been reported.

상·하류 제품 정보

상류 원료

Magnesium stripConcentrated hydrochloric acid시클로프로필아민Iron mud2,3,4,5-사불화 벤조익산염화에틸테트라하이드로푸란Ethanol solution질산염화 티오닐탄산나트륨(경회)2,6-Dimethylpiperazine3-Quinolinecarboxylic acid, 1-cyclopropyl-5,6,7,8-tetrafluoro-1,4-dihydro-4-oxo-, ethyl ester3-Quinolinecarboxylic acid, 1-cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-5-[(phenylmethyl)amino]-, ethyl ester1-Cyclopropyl-5-amido-6,7,8-trifluoro-1,4-dihydro-4-oxo-3- quinolinecarboxylic acid ethyl ester5-Amino-l-Cyclopropyl-6,7, 8-Trifluoro-1,4-Dihydro-4-Oxo-3-Quinolinearboxylic Acid

공급사100 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
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上海昕凯医药科技有限公司21-619849051-1 18521059765 · [email protected]
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