セファゾリンナトリウム塩 - ≥97%以上(HPLC) , CAS No.27164-46-1

CAS: 27164-46-1 Cat. No.: C133095 分子式: C₁₄H₁₃N₈NaO₄S₃ 分子量: 476.48 EC番号: 248-278-4

GRADE & PURITY ≥97%(HPLC)

Synonyms

AS-12230 | Cefabiozim | HMS3260H10 | HMS500A16 | SMR000058708 | AC-13166 | Cefazil | sodium (6R,7R)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[2-(1H-1,2,3,4-tetrazol-1-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | At

Storage

2～8℃で保存

Shipped In

濡れた氷

概要

Cefazolin ナトリウム塩は細菌の細胞壁の統合を禁じます。
細菌の細胞壁の統合の抑制剤

Specifications

同義語

AS-12230 | Cefabiozim | HMS3260H10 | HMS500A16 | SMR000058708 | AC-13166 | Cefazil | sodium (6R,7R)-3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-8-oxo-7-[2-(1H-1,2,3,4-tetrazol-1-yl)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | At

仕様と純度

≥97%以上(HPLC)

生化学的・生理学的メカニズム

ペニシリン結合タンパク質、特にPBP2とPBP4の発現、結合、阻害が細菌の細胞壁ムコペプチド合成に及ぼす影響の研究に使用。

保管条件

2～8℃で保存

入荷

濡れた氷

純度

≥97%(HPLC)

名前と識別子

パブケム・シド

504769603

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504769603

カノニカル・スマイル

CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)[O-].[Na+]

IUPAC Name

sodium;(6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

InChIKey

FLKYBGKDCCEQQM-WYUVZMMLSA-M

INCHI

1S/C14H14N8O4S3.Na/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21;/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26);/q;+1/p-1/t9-,12-;/m1./s1

異性体SMILES

CC1=NN=C(S1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)[O-].[Na+]

RTECS

XI0390000

分子量

476.48

Reaxy-Rn

3585038

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3585038&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 Alkylarylthioethers 1,3-thiazines Thiadiazoles Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Azetidines Thiohemiaminal derivatives Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboximidic acids Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organic sodium salts Organic zwitterions
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-acyl-alpha amino acid or derivatives - Cephem - Aryl thioether - Alkylarylthioether - Meta-thiazine - Azole - Beta-lactam - Heteroaromatic compound - Tertiary carboxylic acid amide - Tetrazole - Thiadiazole - Azetidine - Carboxamide group - Lactam - Carboximidic acid - Carboximidic acid derivative - Carboxylic acid - Azacycle - Organic alkali metal salt - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Dialkylthioether - Thioether - Hemithioaminal - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic sodium salt - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic zwitterion - Organic oxide - Carbonyl group - 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 sodium salt

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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in water (50 mg/ml), methanol (slightly), 100% ethanol (slightly), DMF, pyridine, and dioxane, aq.. Insoluble in acetone, chloroform, benzene, and ether.
• 感度: Light sensitive; Heat sensitive
• 屈折率: 1.96
• 比旋光度［α］: -20° C
• 融点（°C）: 190°C
• 分子量: 476.500 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 476.012 Da
• Monoisotopic Mass: 476.012 Da
• Topological Polar Surface Area: 238.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 746.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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