razupenem - Moligand™ , Bacterial penicillin-binding protein inhibitor, CAS No.426253-04-5, Bacterial penicillin-binding protein inhibitor

CAS: 426253-04-5 Cat. No.: R613104 分子式: C₁₈H₂₁N₃O₄S₂ 分子量: 407.5 PubChem CID: 10993211

GRADE & PURITY Moligand™

Synonyms

DTXSID801045429 | 26020H3Q1L | (4R,5S,6S)-6-((1R)-1-hydroxyethyl)-4-methyl-3-((4-((5S)-5-methyl-2,5-dihydro-1H-pyrrol-3-yl)thiazol-2-yl)sulfanyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid | PZ601 | PZ-601 | (4R,5S,6S)-6-((R)-1-hydroxyethyl)-4-

Storage

Room temperature

Specifications

同義語

DTXSID801045429 | 26020H3Q1L | (4R,5S,6S)-6-((1R)-1-hydroxyethyl)-4-methyl-3-((4-((5S)-5-methyl-2,5-dihydro-1H-pyrrol-3-yl)thiazol-2-yl)sulfanyl)-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid | PZ601 | PZ-601 | (4R,5S,6S)-6-((R)-1-hydroxyethyl)-4-

仕様と純度

Moligand™

保管条件

Room temperature

等級

Moligand™

アクションタイプ

INHIBITOR

作用メカニズム

Bacterial penicillin-binding protein inhibitor

製品の性質

• ALogP: -1

名前と識別子

• カノニカル・スマイル: CC1C=C(CN1)C2=CSC(=N2)SC3=C(N4C(C3C)C(C4=O)C(C)O)C(=O)O
• IUPAC Name: (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3-[[4-[(5S)-5-methyl-2,5-dihydro-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]sulfanyl]-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• InChIKey: XFGOMLIRJYURLQ-GOKYHWASSA-N
• INCHI: 1S/C18H21N3O4S2/c1-7-4-10(5-19-7)11-6-26-18(20-11)27-15-8(2)13-12(9(3)22)16(23)21(13)14(15)17(24)25/h4,6-9,12-13,19,22H,5H2,1-3H3,(H,24,25)/t7-,8+,9+,12+,13+/m0/s1
• 異性体SMILES: C[C@H]1C=C(CN1)C2=CSC(=N2)SC3=C(N4[C@H]([C@H]3C)[C@H](C4=O)[C@@H](C)O)C(=O)O
• 代替CAS番号: 426253-04-5
• PubChem CID: 10993211
• MeSH用語: SM-216601
• 分子量: 407.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Lactams
      • Subclass Beta lactams

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Lactams
• Subclass: Beta lactams
• Intermediate Tree Nodes: Not available
• Direct Parent: Carbapenems
• Alternative Parents: Alpha amino acids and derivatives Aryl thioethers Pyrroline carboxylic acids 2,4-disubstituted thiazoles Azepines Vinylogous thioesters Tertiary carboxylic acid amides Heteroaromatic compounds Thioenol ethers Azetidines Secondary alcohols Amino acids Dialkylamines Carboxylic acids Azacyclic compounds Sulfenyl compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Carbapenem - Alpha-amino acid or derivatives - Aryl thioether - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Azepine - Vinylogous thioester - Pyrroline - Heteroaromatic compound - Tertiary carboxylic acid amide - Thiazole - Azole - Amino acid or derivatives - Amino acid - Carboxamide group - Thioenolether - Secondary alcohol - Azetidine - Azacycle - Sulfenyl compound - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxygen compound - Alcohol - Organic nitrogen compound - Organosulfur compound - Amine - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as carbapenems. These are beta-lactam derivatives in which the beta-lactam ring shares the nitrogen atom with a pyrrole-2-carboxylic acid.
• 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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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Enterococcus faecium (13803 Activities)

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Serum (58 Activities)

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作用メカニズム

化学的性質と物理的性質

• 分子量: 407.500 g/mol
• XLogP3: -1.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 407.097 Da
• Monoisotopic Mass: 407.097 Da
• Topological Polar Surface Area: 156.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 740.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 5
• 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

How should this product be stored?

Store at room temperature.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

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

The CAS Number is 426253-04-5, the molecular formula is C18H21N3O4S2, and the molecular weight is 407.5 g/mol. InChIKey XFGOMLIRJYURLQ-GOKYHWASSA-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.