Tebipenem - ≥98% , CAS No.161715-21-5

CAS: 161715-21-5 Cat. No.: T648048 分子式: C₁₆H₂₁N₃O₄S₂ 分子量: 383.5 PubChem CID: 9800194

GRADE & PURITY ≥98%

Synonyms

1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((1-(4,5-dihydro-2-thiazolyl)-3-azetidinyl)thio)-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-, (4R,5S,6S)- | Q2TWQ1I31U | C21522 | TEBIPENEM [WHO-DD] | AS-75271 | Tebipenem | (1R,5S,6S)-6-(1(R)-Hydroxyethyl)-1

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Tebipenem is an orally available carbapenem antibiotic , shows broad-spectrum activity against Gram-positive and -negative bacteria, except for Pseudomonas aeruginosa .

In Vitro

Tebipenem exhibits slow tight-binding inhibition at low micromolar concentrations versus the chromogenic substrate nitrocefin, and apparent K m and k cat values of 0.8 μM and 0.03 min -1 , respectively. Tebipenem shows potent activity against B. pseudomallei , with MIC 50 and MIC 90 values of both 2 mg/L. Tebipenem shows good activity against S. pneumoniae , with the MIC range of ≤0.25 μg/mL in all of the S. pneumoniae isolates. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:β-lactam

Specifications

同義語

1-Azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid, 3-((1-(4,5-dihydro-2-thiazolyl)-3-azetidinyl)thio)-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-, (4R,5S,6S)- | Q2TWQ1I31U | C21522 | TEBIPENEM [WHO-DD] | AS-75271 | Tebipenem | (1R,5S,6S)-6-(1(R)-Hydroxyethyl)-1

仕様と純度

≥98%

生化学的・生理学的メカニズム

Tebipenem is an orally available carbapenem antibiotic , shows broad-spectrum activity against Gram-positive and -negative bacteria, except for Pseudomonas aeruginosa .

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

• カノニカル・スマイル: CC1C2C(C(=O)N2C(=C1SC3CN(C3)C4=NCCS4)C(=O)O)C(C)O
• IUPAC Name: (4R,5S,6S)-3-[1-(4,5-dihydro-1,3-thiazol-2-yl)azetidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• InChIKey: GXXLUDOKHXEFBQ-YJFSRANCSA-N
• INCHI: 1S/C16H21N3O4S2/c1-7-11-10(8(2)20)14(21)19(11)12(15(22)23)13(7)25-9-5-18(6-9)16-17-3-4-24-16/h7-11,20H,3-6H2,1-2H3,(H,22,23)/t7-,8-,10-,11-/m1/s1
• 異性体SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1SC3CN(C3)C4=NCCS4)C(=O)O)[C@@H](C)O
• 代替CAS番号: 161715-21-5
• PubChem CID: 9800194
• MeSH用語: SPR994;tebipenem
• 分子量: 383.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Lactams
      • Subclass Beta lactams
        • Level5 Carbapenems
          • Level6 Thienamycins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Lactams
• Subclass: Beta lactams
• Intermediate Tree Nodes: Carbapenems
• Direct Parent: Thienamycins
• Alternative Parents: Alpha amino acids and derivatives Pyrroline carboxylic acids Azepines Vinylogous thioesters Thiazolines Tertiary carboxylic acid amides Thioenol ethers Secondary alcohols Azetidines Isothioureas Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Monocarboxylic acids and derivatives Carboxylic acids Amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Thienamycin - Alpha-amino acid or derivatives - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Azepine - Vinylogous thioester - Pyrroline - Meta-thiazoline - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Isothiourea - Secondary alcohol - Thioenolether - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Organic nitrogen compound - Alcohol - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as thienamycins. These are beta-lactam antibiotics that differ from penicillins in having the thiazolidine sulfur atom replaced by carbon, the sulfur then becoming the first atom in the side chain.
• External Descriptors: Not available

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（非人間）

Staphylococcus aureus (210822 Activities)

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Haemophilus influenzae (8812 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Enterococcus faecalis (29875 Activities)

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LLC-PK1 (2135 Activities)

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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: DMSO : 33.33 mg/mL (86.91 mM; Need ultrasonic) H2O : 7.14 mg/mL (18.62 mM; Need ultrasonic)
• 分子量: 383.500 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 383.097 Da
• Monoisotopic Mass: 383.097 Da
• Topological Polar Surface Area: 144.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 689.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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: 1

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 161715-21-5, the molecular formula is C16H21N3O4S2, and the molecular weight is 383.5 g/mol. InChIKey GXXLUDOKHXEFBQ-YJFSRANCSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.