기본 정보
- CAS
51762-05-1- 표준 SMILES
COC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)C3=CCC=CC3)[C@H]2SC1- InChIKey
RDMOROXKXONCAL-UEKVPHQBSA-N- 분자식
- C16H19N3O5S
- 평균 분자량
- 365.4 g/mol
- 단동위원소 질량
- 365.10454189
개요
Cefroxadine is a first-generation cephalosporin antibiotic having methoxy and [(2R)-2-amino-2-(cyclohexa-1,4-dien-1-yl)acetyl]amino side groups located at positions 3 and 7 respectively.
이름 및 식별자
- 우선 이름
- Cefroxadine
- IUPAC
- (6R,7R)-7-[[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- 현지명
- 세프록사딘
- 영어명
- Cefroxadine
- 분자식
- C16H19N3O5S
- 분자량
- 365.4
이름 및 동의어
cefroxadine51762-05-1OrasporCefroxadinCgp 9000CefroxadinumCefroxadinoCefthan-DSCGP-9000cefroxadinaDTXSID1022768B908C4MV2R
이름 더 보기
세프록사딘(6R,7R)-7-[[(R)-Amino(1,4-cyclohexadien-1-yl)acetyl]amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidcxdC12979cgp9000BRN 0587499antibioticcgp9000Cefroxadine. Oraspor
DTXCID602768CHEBI:313797-(D-2-amino-2-(1,4-cyclohexadienyl)acetamido)-3-methoxy-3-cephem-4-carboxylic acid(6R,7R)-7-(((2R)-2-amino-2-cyclohexa-1,4-dien-1-yl-acetyl)amino)-3-methoxy-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid(6R,7R)-7-[[(2R)-2-amino-2-cyclohexa-1,4-dien-1-yl-acetyl]amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidRefChem:124252J01DA35257-391-8
데이터베이스 식별자
- CAS
51762-05-1- PubChem CID
- 5284529
- DTXSID
DTXSID1022768- ChEMBL
CHEMBL3186538- ChEBI
CHEBI:31379- UNII
- B908C4MV2R
- EC Number
- 257-391-8
- Nikkaji
- J3.191G
물성
구조 계산 물성
- XLogP
- -2.3
- 극성 표면적
- 147 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 715
실험 및 물리화학적 성질
Drugs
Pharmaceuticals -> Listed in ZINC15
Pharmaceuticals -> Antibiotics
물리화학적 성질
- 녹는점
- 170 ° · 170° (dec)
- 끓는 점
- 251 °C · 251°C (rough estimate)
- 밀도
- 1.3163 · 1.3163 (rough estimate)
- 굴절률
- 1.639 · 1.6390 (estimate)
- 산도 계수 (pKa)
- 3.3 · pKa 3.30±0.02(H2O t=35.0 I=0.00)(Approximate)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, 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 CategoriesSkin Sens. 1 (100%)
안전 데이터
- 독성
- LD50 in mice (mg/kg): >6000 orally; 7090 i.p. (Scartazzini, Bickel, 1978)
화학 및 산업
약리 정보
ATC Code
J - Antiinfectives for systemic use
QJ - Antiinfectives for systemic use
Protein BindingCefrixadine is 10% bound to human plasma proteins.
PharmacodynamicsCefroxadine is a cephalosporin antibiotic which produces a bactericidal effect on susceptible bacteria.
Mechanism of Action
Cefrixadine is a cephalosporin antibiotic, a class of β-lactam antibiotics similar to penicillins, which binds to and inhibits penicillin binding proteins (PBPs). PBPs are responsible for catalyzing the transpeptidase reaction which cross-links the peptide side chains on the sugar residues of a peptidoglycan unit, adding the unit to the peptidoglycan layer. This disrupts the balance between the hydrolysis of peptidoglycan, in order to insert new peptidoglycan units, by murein hydrolase and the attachment of the new units which leads to overall destruction of the peptidoglycan layer. With the loss of its peptidoglycan layer the cell also loses its resistance to the high osmotic pressure inside its membrane and lyses.
Biological Half-LifeThe serum half life is 0.9-1.1 h.
Absorption, Distribution and Excretion
Oral bioavailability of 90%.
Primarily eliminated in the urine (80-96%).
Volume of distrubution of 15 L.
The total body clearance is 340 mL/min and the renal clearance is 250 mL/min.
응용 분야
개요Cefroxadine was synthesized by Ciba-Geigy in 1972. A methoxyl group replaced the methyl group of cephradine at the 3 position of the cephem nucleus. Cefroxadine shows stronger activities than cephalexin, especially bactericidal and bacteriolytic activities, and it has better oral absorption that is less affected by a recent meal. Cefroxadine shows less renal toxicity than cephalexin in toxicological studies using animals.
용도Antibacterial.
상·하류 제품 정보
상류 원료
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