Faropenem daloxate - ≥98% , Bacterial penicillin-binding protein inhibitor, CAS No.141702-36-5, Bacterial penicillin-binding protein inhibitor

CAS: 141702-36-5 Cat. No.: F646726 Molecular Weight: 397.4 PubChem CID: 6918218

GRADE & PURITY ≥98%

Synonyms

Faropenem medoxil | UNII-N8EZQ5S1GC | SCHEMBL154146 | Faropenem medoxomil | HY-10004 | (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (5R,6S)-6-((R)-1-hydroxyethyl)-7-oxo-3-((R)-tetrahydrofuran-2-yl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate | methyl-hyd

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Faropenem daloxate is the first oral penem in a new class of beta-lactam antibiotics .IC50 Value:Target: AntibacterialFaropenem daloxate is useful for penem and antibiotics . Faropenem medoxomil has excellent in vitro activity against Streptococcus pneumoniae, Haemophilus influenzae and other key pathogens implicated in acute bacterial rhinosinusitis. Clinical studies have demonstrated that, in the treatment of acute bacterial rhinosinusitis in adults, 7 days of treatment with faropenem medoxomil is as clinically and bacteriologically effective as 10 days of treatment with cefuroxime axetil. One study showed faropenem medoxomil to be superior to cefuroxime axetil. Overall, the safety profile of faropenem medoxomil is similar to that of most comparators.

Form:Solid

IC50& Target:β-lactam

Specifications

Synonyms

Faropenem medoxil | UNII-N8EZQ5S1GC | SCHEMBL154146 | Faropenem medoxomil | HY-10004 | (5-methyl-2-oxo-1, 3-dioxol-4-yl)methyl (5R, 6S)-6-((R)-1-hydroxyethyl)-7-oxo-3-((R)-tetrahydrofuran-2-yl)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate | methyl-hyd

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Faropenem daloxate is the first oral penem in a new class of beta-lactam antibiotics .\nIC50 Value: \nTarget: Antibacterial Faropenem daloxate is useful for penem and antibiotics . Faropenem medoxomil has excellent in vitro activity against Streptococcus

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Mechanism of action

Bacterial penicillin-binding protein inhibitor

Purity

≥98%

Product Properties

• ALogP: 0.9

Names and Identifiers

• Canonical Smiles: CC1=C(OC(=O)O1)COC(=O)C2=C(SC3N2C(=O)C3C(C)O)C4CCCO4
• IUPAC Name: (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate
• InChIKey: JQBKWZPHJOEQAO-DVPVEWDBSA-N
• INCHI: 1S/C17H19NO8S/c1-7(19)11-14(20)18-12(13(27-15(11)18)9-4-3-5-23-9)16(21)24-6-10-8(2)25-17(22)26-10/h7,9,11,15,19H,3-6H2,1-2H3/t7-,9-,11+,15-/m1/s1
• Isomeric SMILES: CC1=C(OC(=O)O1)COC(=O)C2=C(S[C@H]3N2C(=O)[C@@H]3[C@@H](C)O)[C@H]4CCCO4
• PubChem CID: 6918218
• Molecular Weight: 397.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class 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
• Class: 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: Penems Thiazolecarboxylic acids and derivatives Vinylogous thioesters Carbonic acid diesters Enoate esters Heteroaromatic compounds Tertiary carboxylic acid amides Tetrahydrofurans Thiazolines Azetidines Thioenol ethers Secondary alcohols Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Thiohemiaminal derivatives Dialkyl ethers Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - Penem - Thiazolecarboxylic acid or derivatives - Carbonic acid diester - Vinylogous thioester - Beta-lactam - Tertiary carboxylic acid amide - Tetrahydrofuran - Thiazole - Meta-thiazoline - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Carboxamide group - Carboxylic acid ester - Lactam - Secondary alcohol - Azetidine - Thioenolether - Organoheterocyclic compound - Hemithioaminal - Oxacycle - Dialkyl ether - Ether - Azacycle - Monocarboxylic acid or derivatives - Organic oxide - Carbonyl group - Alcohol - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: 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

Associated Targets(Human)

Homo sapiens (32628 Activities)

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Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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Streptococcus pneumoniae (31063 Activities)

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Mus musculus (284745 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Bacillus anthracis (2936 Activities)

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Plasma (328 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : ≥ 100 mg/mL (251.64 mM) H2O : <0.1 mg/mL (ultrasonic) (insoluble)
• Molecular Weight: 397.400 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 397.083 Da
• Monoisotopic Mass: 397.083 Da
• Topological Polar Surface Area: 137.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 775.000
• 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