基本情報
- CAS
64952-97-2- 標準SMILES
CO[C@@]1(NC(=O)C(C(=O)O)c2ccc(O)cc2)C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CO[C@@H]21- InChIKey
JWCSIUVGFCSJCK-CAVRMKNVSA-N- 分子式
- C20H20N6O9S
- 平均分子量
- 520.5 g/mol
- 単同位体質量
- 520.10124741
概要
Moxalactam is a broad-spectrum oxacephem antibiotic in which the oxazine ring is substituted with a tetrazolylthiomethyl group and the azetidinone ring carries methoxy and 2-carboxy-2-(4-hydroxyphenyl)acetamido substituents. It has a role as an antibacterial drug. It is a cephalosporin and an oxacephem.
名称と識別子
- 優先名称
- Moxalactam
- IUPAC
- (6R,7R)-7-[[2-carboxy-2-(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
- 英語名
- 7 beta-(2-carboxy-2-(4-hydroxyphenyl)acetamido)-7 alpha-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-1-oxa-1-dethia-3-cephem-4-carboxylic acid
- 分子式
- C20H20N6O9S
- 分子量
- 520.47
名称と別名
Latamoxefmoxalactam64952-97-2LamoxactamLatamoxefumOxa-cephemLMOXVUF6C936Z3(6R,7R)-7-[[2-carboxy-2-(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidCHEBI:599928S-6059Disodium Moxalactam
名称をさらに表示
LatamoxefImpurity517 beta-(2-carboxy-2-(4-hydroxyphenyl)acetamido)-7 alpha-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-1-oxa-1-dethia-3-cephem-4-carboxylic acid5-Oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2S)-carboxy(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, (6R,7R)- (9CI)(6R-(6alpha,7alpha,7(S*)))-7-((Carboxy(4-hydroxyphenyl)acetyl)amino)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-oxa-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid7-((Carboxy(4-hydroxyphenyl)acetyl)amino)-7-methoxy-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-8-oxo-5-oxa-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid (6R-(6alpha,7alpha,7(S*)))-
物性
構造計算による物性
- XLogP
- -0.6
- 極性表面積
- 232 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 13
- 回転可能結合数
- 9
- 重原子数
- 36
- 形式電荷
- 0
- 複雑度
- 958
実験および物理化学的性質
DrugsPharmaceuticals -> Antibiotics
LogP-0.58
Solubility7.51e-01 g/L
Physical DescriptionSolid
物理化学的性質
- 比重(密度)
- 1.77 · 1.77±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 3.25 · 3.25±0.40(Predicted)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
危険有害性情報
Other Safety InformationIMAP assessments - 5-Oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[carboxy(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-, [6R-[6.alpha.,7.alpha.,7(R*)]]-: Human health tier I assessment
毒性情報
Drug Induced Liver Injury
Drug-Induced Liver Injury Severity and Toxicity (DILIst)
latamoxef
DILI Negative
DOI:10.1016/j.drudis.2019.09.022
化学と産業
薬理情報
ATC Code
J - Antiinfectives for systemic use
QJ - Antiinfectives for systemic use
Protein Binding40%
PharmacodynamicsLatamoxef works by inhibiting bacterial cell wall biosynthesis.
Mechanism of Action
Penicillins acylate the penicillin-sensitive transpeptidase C-terminal domain (the penicillin-binding protein) by opening the lactam ring. This inactivation of the enzyme prevents the formation of a cross-link of two linear peptidoglycan strands, inhibiting the third and last stage of bacterial cell wall synthesis. Cell lysis is then mediated by bacterial cell wall autolytic enzymes such as autolysins; it is possible that amoxicllin interferes with an autolysin inhibitor.
Biological Half-Life1.6 hours
MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
Absorption, Distribution and Excretion
Rapidly absorbed after oral administration.
Renal Excretion accounts for 75 %
8.51 L
Cellular LocationsExtracellular
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济南百隆化学有限公司[email protected] · [email protected]
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