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

CAS: 426253-04-5 Cat. No.: R613104 Formule: C₁₈H₂₁N₃O₄S₂ Poids moléculaire: 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

Synonymes

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-

Spécifications et pureté

Moligand™

Conditions de stockage de stockage

Room temperature

Grade

Moligand™

Type d'action

INHIBITOR

Mécanisme d'action

Bacterial penicillin-binding protein inhibitor

Propriétés du produit

• ALogP: -1

Noms et identifiants

• Sourires canoniques: 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
• Isomères 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
• CAS alternatif: 426253-04-5
• PubChem CID: 10993211
• Termes d'entrée MeSH: SM-216601
• Poids moléculaire: 407.5

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Cibles associées (non humaines)

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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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Serum (58 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 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

Foire aux questions

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.