기본 정보
- CAS
10206-21-0- 표준 SMILES
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CC#N)[C@H]2SC1- InChIKey
RRYMAQUWDLIUPV-BXKDBHETSA-N- 분자식
- C13H13N3O6S
- 평균 분자량
- 339.33 g/mol
- 단동위원소 질량
- 339.05250632
개요
Cefacetrile is a cephalosporin.
이름 및 식별자
- 우선 이름
- Cefacetrile
- IUPAC
- (6R,7R)-3-(acetyloxymethyl)-7-[(2-cyanoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- 영어명
- cefacetrile
- 분자식
- C13H13N3O6S
- 분자량
- 339.32
이름 및 동의어
CefacetrileCephacetrile10206-21-0Vetrimast(6R,7R)-3-(acetyloxymethyl)-7-[(2-cyanoacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidCIBA 36,278A-BAFDM21QQ344C 36278 BaDTXSID0022779(6R,7R)-3-[(acetyloxy)methyl]-7-(2-cyanoacetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid(6R,7R)-3-((acetyloxy)methyl)-7-(2-cyanoacetamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid(6R,7R)-3-(acetyloxymethyl)-7-((2-cyanoacetyl)amino)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid
이름 더 보기
CefacetrilumCefepime APICefaloranic Acid APIcefacetrile USP/EP/BPCefcapene Pivoxil APICefacetrilum [inn-latin]Cephacetrile,Cefacetrile
RefChem:124361DTXCID302779C36278Ba5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-((acetyloxy)methyl)-7-((cyanoacetyl)amino)-8-oxo-, monosodium salt, (6R-trans)-233-508-8CelosporCefacetrilCefacetrilo
물성
구조 계산 물성
- XLogP
- -0.5
- 극성 표면적
- 162 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 664
실험 및 물리화학적 성질
Drugs
Pharmaceuticals -> Antibiotics
Pharmaceuticals -> Listed in ZINC15
LogP
-0.45
-0.45
Solubility2.43e+00 g/L
Melting Point168-170
Physical DescriptionSolid
물리화학적 성질
- 녹는점
- 133 · 133-135°C
- 끓는 점
- 757.5 · 757.5±60.0 °C(Predicted)
- 밀도
- 1.59 · 1.59±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
- 용해도
- DMF(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 1.97 · pKa 1.97 (Uncertain)
- 물리적 상태
- 고체
- 색상
- 흰색에서 옅은 베이지까지
- 안정성
- 흡습성
화학적 성질
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- WGK 3
- Hazard Classifications
- Resp. Sens. 1Skin Sens. 1
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
ATC Code
J - Antiinfectives for systemic use
QJ - Antiinfectives for systemic use
QJ - Antiinfectives for systemic use
Protein Binding23 to 38%
Pharmacodynamics
Cefacetrile is effective against many Gram-positive bacterial strains and somewhat less effective against Gram-negative species. It works by inhibition of bacterial cell wall synthesis. It attains high serum levels and is excreted quickly via the urine.
Mechanism of Action
In vitro tests demonstrate that the bactericidal action of cephalosporins results from inhibition of cell wall synthesis. By binding to specific penicillin-binding proteins (PBPs) located inside the bacterial cell wall, it inhibits the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins.
Biological Half-Life1.2 hours
MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
Absorption, Distribution and ExcretionVd of 0.2 to 0.5L/.kg
Cellular LocationsExtracellular
상·하류 제품 정보
상류 원료
관련 반응
1건
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