Sulopenem etzadroxil - ≥99% , CAS No.1000296-70-7

CAS: 1000296-70-7 Cat. No.: S651341 Fórmula: C₁₉H₂₇NO₇S₃ Peso molecular: 477.62

GRADE & PURITY ≥99%

Synonyms

PF 03709270 (ulopenem etzadroxil) | 1000296-70-7 | PF-03709270 | sulopenem-etzadroxil | AC-33246 | NBPVNGWRLGHULH-CSOWVJSESA-N | 492M3I304T | SCHEMBL3412832 | AKOS040742411 | D09672 | SULOPENEM ETZADROXIL | PF 03709270 | Sulopenem etzadroxil [USAN] | DTXS

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Sulopenem etzadroxil (PF-03709270) is an orally available ester proagent form of sulopenem, with broad-spectrum antibacterial activity against most gram-positive and gram-negative bacteria.

Form:Solid

Specifications

Sinónimos

PF 03709270 (ulopenem etzadroxil) | 1000296-70-7 | PF-03709270 | sulopenem-etzadroxil | AC-33246 | NBPVNGWRLGHULH-CSOWVJSESA-N | 492M3I304T | SCHEMBL3412832 | AKOS040742411 | D09672 | SULOPENEM ETZADROXIL | PF 03709270 | Sulopenem etzadroxil [USAN] | DTXS

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

Sulopenem etzadroxil (PF-03709270) is an orally available ester proagent form of sulopenem, with broad-spectrum antibacterial activity against most gram-positive and gram-negative bacteria.

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥99%

Nomes e identificadores

• Sorrisos canónicos: CCC(CC)C(=O)OCOC(=O)C1=C(SC2N1C(=O)C2C(C)O)SC3CCS(=O)C3
• IUPAC Name: 2-ethylbutanoyloxymethyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(1R,3S)-1-oxothiolan-3-yl]sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
• InChIKey: NBPVNGWRLGHULH-CSOWVJSESA-N
• INCHI: 1S/C19H27NO7S3/c1-4-11(5-2)17(23)26-9-27-18(24)14-19(28-12-6-7-30(25)8-12)29-16-13(10(3)21)15(22)20(14)16/h10-13,16,21H,4-9H2,1-3H3/t10-,12+,13+,16-,30-/m1/s1
• SMILES isoméricas: CCC(CC)C(=O)OCOC(=O)C1=C(S[C@H]2N1C(=O)[C@@H]2[C@@H](C)O)S[C@H]3CC[S@@](=O)C3
• CAS alternativo: 1000296-70-7
• Peso molecular: 477.62
• Reaxy-Rn: 29790015
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29790015&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Thiazolecarboxylic acids and derivatives Penems Acylals Fatty acid esters Vinylogous thioesters Dicarboxylic acids and derivatives Thiolanes Thiazolines Tertiary carboxylic acid amides Enoate esters Azetidines Sulfoxides Secondary alcohols Sulfenyl compounds Sulfinyl compounds Thiohemiaminal derivatives Acetals Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - Penem - Thiazolecarboxylic acid or derivatives - Fatty acid ester - Acylal - Dicarboxylic acid or derivatives - Fatty acyl - Vinylogous thioester - Beta-lactam - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiolane - Meta-thiazoline - Thiazole - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Carboxylic acid ester - Lactam - Secondary alcohol - Sulfoxide - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Sulfinyl compound - Acetal - Hemithioaminal - Organic oxygen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic oxide - Aliphatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• 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

Propriedades químicas e físicas

• Solubilidade: DMSO : 100 mg/mL (209.37 mM; Need ultrasonic)
• Peso molecular: 477.600 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 11
• Exact Mass: 477.095 Da
• Monoisotopic Mass: 477.095 Da
• Topological Polar Surface Area: 180.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 767.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥99% 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 1000296-70-7, the molecular formula is C19H27NO7S3, and the molecular weight is 477.62 g/mol. InChIKey NBPVNGWRLGHULH-CSOWVJSESA-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.