セフォペラゾンナトリウム - ≥98% , CAS No.62893-20-3

CAS: 62893-20-3 Cat. No.: C136445 分子式: C₂₅H₂₆N₉NaO₈S₂ 分子量: 667.65 Beilstein Registry Number: 4902135 EC番号: 263-751-5

GRADE & PURITY ≥98%

Synonyms

CEFOPERAZONE SODIUM (EP MONOGRAPH) | CHEBI:3494 | UNII-5FQG9774WD | 2-([2-(Acetyloxy)benzoyl]oxy)benzoic acid # | M0448 | Sodium (6R,7R)-7-((R)-2-(4-ethyl-2,3-dioxo-1-piperazinecarboxamido)-2-(p-hydroxyphenyl)acetamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio

Storage

2～8℃で保存

Shipped In

濡れた氷

概要

セフォペラゾンナトリウム塩はセファロスポリン系抗生物質で、rMrp2を介した[3H]E217βGの取り込みを阻害し、IC50は199μMである。
α-アンチトリプシンの不活性化阻害剤である。

Specifications

同義語

CEFOPERAZONE SODIUM (EP MONOGRAPH) | CHEBI:3494 | UNII-5FQG9774WD | 2-([2-(Acetyloxy)benzoyl]oxy)benzoic acid # | M0448 | Sodium (6R,7R)-7-((R)-2-(4-ethyl-2,3-dioxo-1-piperazinecarboxamido)-2-(p-hydroxyphenyl)acetamido)-3-(((1-methyl-1H-tetrazol-5-yl)thio

仕様と純度

≥98%

生化学的・生理学的メカニズム

セフォペラゾンナトリウムは術後感染予防に有用な抗菌薬です。α(1)-アンチトリプシンの不活性化阻害剤。β-ラクタマーゼに耐性の広域セファロスポリン。α1-アンチトリプシンの不活性化阻害剤。α-1-アンチトリプシンの不活性化を阻害する。

保管条件

2～8℃で保存

入荷

濡れた氷

注

可能な限り、溶液はその日のうちに調製し、使用すること。ただし、事前にストック溶液を調製する必要がある場合は、密栓したバイアルに分注した溶液を-20℃で保存することをお勧めします。通常、これらは1ヶ月間使用可能です。使用前、バイアルを開封する前に、製品を少なくとも1時間室温に平衡化させることをお勧めします。溶解性、使用方法、取り扱いについて、さらに詳しいアドバイスが必要ですか？詳しくは、よくある質問（FAQ）のページをご覧ください。

純度

≥98%

名前と識別子

• パブケム・シド: 504769484
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504769484
• カノニカル・スマイル: CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)[O-].[Na+]
• IUPAC Name: sodium;(6R,7R)-7-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
• InChIKey: NCFTXMQPRQZFMZ-WERGMSTESA-M
• INCHI: 1S/C25H27N9O8S2.Na/c1-3-32-8-9-33(21(39)20(32)38)24(42)27-15(12-4-6-14(35)7-5-12)18(36)26-16-19(37)34-17(23(40)41)13(10-43-22(16)34)11-44-25-28-29-30-31(25)2;/h4-7,15-16,22,35H,3,8-11H2,1-2H3,(H,26,36)(H,27,42)(H,40,41);/q;+1/p-1/t15-,16-,22-;/m1./s1
• 異性体SMILES: CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=C(C=C2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)[O-].[Na+]
• WGKドイツ: 2
• 分子量: 667.65
• Beilstein: 4902135
• Reaxy-Rn: 53833170
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=53833170&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 N-acyl-alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: N-acyl-alpha amino acids and derivatives
• Alternative Parents: Cephems Dioxopiperazines Alkylarylthioethers Phenoxides N-alkylpiperazines N-acyl ureas 1,3-thiazines Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Azetidines Isoureas Thiohemiaminal derivatives Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxylic acids Monocarboxylic acids and derivatives Dialkylthioethers Carbonyl compounds Organic zwitterions Organic sodium salts Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-acyl-alpha amino acid or derivatives - Cephem - Aryl thioether - Dioxopiperazine - N-acyl urea - Phenoxide - Ureide - N-alkylpiperazine - Alkylarylthioether - Meta-thiazine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Beta-lactam - Azole - Tertiary carboxylic acid amide - Heteroaromatic compound - Tetrazole - Carboxamide group - Azetidine - Isourea - Lactam - Organoheterocyclic compound - Organic alkali metal salt - Dialkylthioether - Organic 1,3-dipolar compound - Carboximidic acid - Carboximidic acid derivative - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Sulfenyl compound - Carboximidamide - Hemithioaminal - Thioether - Organic zwitterion - Organic sodium salt - Carbonyl group - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic salt - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
• External Descriptors: organic molecular entity

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

関連ターゲット（人間）

SLC22A6 Tclin Solute carrier family 22 member 6 (0 Activities)

Discover Target: SLC22A6

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作用メカニズム

化学的性質と物理的性質

• 感度: Moisture sensitive
• 分子量: 667.700 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 9
• Exact Mass: 667.124 Da
• Monoisotopic Mass: 667.124 Da
• Topological Polar Surface Area: 274.000 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 1250.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3

参考文献

1. Lijun Xie, Li Chen, Yongbo Wei, Nannan Chen, Tong Wu, Jingming Zhou, Hong Jiang, Feng Lin.  (2023)  Design, Synthesis and Biological Evaluation of Novel PEG-Rakicidin B1 Hybrid as Clostridium difficile (CD) Targeted Anti-Bacterial Agent.  MOLECULES,  28  (16): (6152).  [PMID:37630404] [10.3390/molecules28166152]

2. Yujia Chen, Wei Li, Li Wang, Bingmei Wang, Jian Suo.  (2024)  Novel inhibition of Staphylococcus aureus sortase A by plantamajoside: implications for controlling multidrug-resistant infections.  APPLIED AND ENVIRONMENTAL MICROBIOLOGY,      [PMID:39745463] [10.1128/aem.01804-24]

3. Chao Wang, Peijuan Chu, Tengfei He, Cheng Yi, Yue Yao, Lijia Liu, Chunhong Zhang.  (2025)  Natural product flavonoid of naringenin based thin-film composite polyester membranes preparation for antibiotic separation.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2025.134123]

4. Meng Liu, Peng Jiang, Binghui Ruan, Yunfei Cui, Junjie Zhang, Yuxiu Ye, Dongting Zhangsun, Sulan Luo, Yong Wu.  (2026)  Rational β-turn engineering of a disulfide-free β-hairpin-like antimicrobial peptide W2PG with enhanced stability, selectivity, and in vivo efficacy.  BIOORGANIC CHEMISTRY,      [PMID:41690116] [10.1016/j.bioorg.2026.109612]

5. Zhixiao Liu, Yuhang Zhao, Mingli Yin, Jiaxu Wan, Yangyang Huang, Guangqiu Lei, Kangfei Wang, Tianliang Zhu, Zhengyu Qiu, Xiaoran Zhang, Zhiming Mi.  (2026)  Tuning monomer spatial configuration for high-performance polyesteramide loose nanofiltration membranes toward antibiotic separation.  JOURNAL OF MEMBRANE SCIENCE,      [PMID:] [10.1016/j.memsci.2026.125833]