Sparfloxacin
Parox · Zagam · ci978 · Spara · at4140 · Sparcin · RP-64206 · CP 103826
식별자 및 물리적 특성
| CAS No. | 110871-86-8 |
|---|---|
| 분자식 | C19H22F2N4O3 |
| 평균 분자량 | 392.4 g/mol |
| 단동위원소 질량 | 392.165997 g/mol |
| SMILES | C[C@@H]1CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C[C@H](C)N1 |
| InChIKey | DZZWHBIBMUVIIW-DTORHVGOSA-N |
| PubChem CID | 60464 |
| ChEMBL | CHEMBL850 |
| ChEBI | CHEBI:9212 |
| EC No. | 629-019-8 |
| DTXSID | DTXSID9023590 |
화학 및 물리적 성질
| XLogP | 0.1 |
|---|---|
| 극성 표면적 | 98.9 |
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 9 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 28 |
| 형식 전하 | 0 |
| 복잡도 | 691 |
| 의약품 | Pharmaceuticals -> Listed in ZINC15Pharmaceuticals -> Anti infectives for systemic use -> Antibacterials for systemic usePharmaceuticals -> Antibiotics |
| LogP(분배 계수) | 2.5 |
| 용해도 | Practically insoluble1.13e-01 g/LDMF: 10 mg/mlDMF:PBS(pH 7.2)(1:1): 0.50 mg/ml |
| Human Drugs | Breast FeedingLactationMilk, HumanAnti-Infective AgentsAntibacterial AgentsQuinolonesFluoroquinolonesFDA approved drugs -> Active ingredient |
| Physical Description | Solid |
| Collision Cross Section | 190.2 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID9023590]216.1 Ų [M+K]+ |
| 녹는점 | 265°C |
| 끓는 점 | 640℃ |
| 밀도 | 1.436±0.06 g/cm3(Predicted) |
| 인화점 | >110°(230°F) |
| 저장 조건 | Keep in dark place,Inert atmosphere,2-8°C |
| pKa(산도 계수) | pKa1 6.25, pKa2 9.30(at 25℃) |
| 물리적 상태 | 가루 |
| 색상 | 흰색에서 밝은 노란색 |
| 생물학적 소스 | synthetic |
| 용해도 | 9mg/ml에서 DMSO에 용해됩니다. 물에 거의 녹지 않음 |
| BRN | 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+ |
| 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
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Drug Induced Liver Injury | Drug-Induced Liver Injury Severity and Toxicity (DILIst)SparfloxacinDILI PositiveDOI:10.1016/j.drudis.2019.09.022 |
| Effects During Pregnancy and Lactation | ◉ Summary of Use during Lactation |
| 수질 위해 등급(WGK) | 2 |
| RTECS 번호 | VB1986500 |
| 관세 코드 | 29339900 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| 위험 등급 | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
Sparfloxacin 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.