Azlocillin sodium salt - ≥99% , Penicillin-binding protein inhibitor, CAS No.37091-65-9, Penicillin-binding protein inhibitor

CAS: 37091-65-9 Cat. No.: A129398 Molecular Weight: 483.47 EC Number: 253-347-7 PubChem CID: 23685176

GRADE & PURITY ≥99%

Synonyms

HMS2097F03 | A19406 | SW202561-3 | 4-(4-Methyl-piperazin-1-ylmethyl)-N-[4-methyl-3-(4-pyridin-3-yl-thiazol-2-ylamino)-phenyl]-benzamide | Securopen | sodium 2,2-dimethyl-6beta-((2R)-2-(((2-oxoimidazolidin-1-yl)carbonyl)amino)-2-phenylacetamido)penam-3alph

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Azlocillin is an acylampicillin with a broad spectrum against bacteria.
Azlocillin is a semisynthetic penicillin and is a potent 1-lactam antibiotic. It is often used against Pseudomonas aeruginosa and has been used to develop novel antibiotic quantitation techniques

Specifications

Synonyms

HMS2097F03 | A19406 | SW202561-3 | 4-(4-Methyl-piperazin-1-ylmethyl)-N-[4-methyl-3-(4-pyridin-3-yl-thiazol-2-ylamino)-phenyl]-benzamide | Securopen | sodium 2, 2-dimethyl-6beta-((2R)-2-(((2-oxoimidazolidin-1-yl)carbonyl)amino)-2-phenylacetamido)penam-3alph

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Azlocillin inhibits penicillin-binding protein (PBP)-dependent bacterial cell wall synthesis.

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Action Type

INHIBITOR

Mechanism of action

Penicillin-binding protein inhibitor

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488200525
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488200525
• Canonical Smiles: CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)NC(=O)N4CCNC4=O)C(=O)[O-])C.[Na+]
• IUPAC Name: sodium;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2R)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
• InChIKey: UVOCNBWUHNCKJM-XFAPPKAWSA-M
• INCHI: 1S/C20H23N5O6S.Na/c1-20(2)13(17(28)29)25-15(27)12(16(25)32-20)22-14(26)11(10-6-4-3-5-7-10)23-19(31)24-9-8-21-18(24)30;/h3-7,11-13,16H,8-9H2,1-2H3,(H,21,30)(H,22,26)(H,23,31)(H,28,29);/q;+1/p-1/t11-,12-,13+,16-;/m1./s1
• Isomeric SMILES: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)NC(=O)N4CCNC4=O)C(=O)[O-])C.[Na+]
• WGK Germany: 3
• RTECS: XH9250000
• PubChem CID: 23685176
• Molecular Weight: 483.47

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
            • Level7 N-acyl-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 - Alpha amino acids and derivatives
• Direct Parent: N-acyl-alpha amino acids and derivatives
• Alternative Parents: Penams Benzene and substituted derivatives Thiazolidines Tertiary carboxylic acid amides Imidazolines Azetidines Isoureas Azacyclic compounds Thiohemiaminal derivatives Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Hydrocarbon derivatives Organopnictogen compounds Organic zwitterions Carbonyl compounds Organic oxides Organic sodium salts
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-acyl-alpha amino acid or derivatives - Penam - Monocyclic benzene moiety - Benzenoid - Beta-lactam - 2-imidazoline - Tertiary carboxylic acid amide - Thiazolidine - Carboxamide group - Azetidine - Isourea - Lactam - Azacycle - Organic alkali metal salt - Carboximidic acid - Carboximidic acid derivative - Organoheterocyclic compound - Carboxylic acid - Dialkylthioether - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Thioether - Hemithioaminal - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic nitrogen compound - Organic salt - Organic sodium salt - Carbonyl group - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
• External Descriptors: organic sodium salt

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)

ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)

Discover Target: ABCC2

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

ABCB11 Tchem Bile salt export pump (2311 Activities)

Discover Target: ABCB11

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

ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 Activities)

Discover Target: ABCC3

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

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

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

SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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

ABCC4 Tchem Multidrug resistance-associated protein 4 (785 Activities)

Discover Target: ABCC4

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

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO 97 mg/mL Water 97 mg/mL Ethanol 3 mg/mL
• Molecular Weight: 483.500 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 483.119 Da
• Monoisotopic Mass: 483.119 Da
• Topological Polar Surface Area: 176.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 851.000
• 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: 2

XLogP3