FR 900098 Monosodium Salt - ≥95% , CAS No.73226-73-0

CAS: 73226-73-0 Cat. No.: F135679 Molecular Weight: 219.11

GRADE & PURITY ≥95%

Synonyms

FR-900098 monosodium salt, >=97% (NMR) | SCHEMBL4433234 | 3-(n-acetylhydroxyamino)-propylphosphonic acid monosodium salt | FR900098 | LCFXFDGYDKNWMD-UHFFFAOYSA-M | BDBM50459311 | FR 900098 Monosodium Salt | Sodium hydrogen {3-[acetyl(hydroxy)amino]propyl}

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

FR900098 sodium is an antimalarial agent that inhibits 1-deoxy-d-xylulose-5-phosphate (DXP) reductoisomerase. FR900098 sodium has no significant acute toxicity or genotoxicity, and does not have the ability to cause chromosome breakage or heterogeneity. FR900098 sodium has no effect on bone marrow red blood cells in NMRI mice.

Specifications

Synonyms

FR-900098 monosodium salt, >=97% (NMR) | SCHEMBL4433234 | 3-(n-acetylhydroxyamino)-propylphosphonic acid monosodium salt | FR900098 | LCFXFDGYDKNWMD-UHFFFAOYSA-M | BDBM50459311 | FR 900098 Monosodium Salt | Sodium hydrogen {3-[acetyl(hydroxy)amino]propyl}

Specifications & Purity

≥95%

Biochemical and Physiological Mechanisms

1-deoxy-D-xylulose 5-phosphate reductoisomerase (DXR) is an enzyme involved in the first step in the nonmevalonate pathway for isoprenoid biosynthesis in Gram-negative, Gram-positive bacteria, plants, and the parasite causing the most virulent form of mal

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Action Type

INHIBITOR

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 504769511
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769511
• Canonical Smiles: CC(=O)N(CCCP(=O)(O)[O-])O.[Na+]
• IUPAC Name: sodium;3-[acetyl(hydroxy)amino]propyl-hydroxyphosphinate
• InChIKey: LCFXFDGYDKNWMD-UHFFFAOYSA-M
• INCHI: 1S/C5H12NO5P.Na/c1-5(7)6(8)3-2-4-12(9,10)11;/h8H,2-4H2,1H3,(H2,9,10,11);/q;+1/p-1
• Isomeric SMILES: CC(=O)N(CCCP(=O)(O)[O-])O.[Na+]
• WGK Germany: 3
• Molecular Weight: 219.11
• Reaxy-Rn: 4614581
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4614581&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic phosphonic acids and derivatives
      • Subclass Organic phosphonic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic phosphonic acids and derivatives
• Subclass: Organic phosphonic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic phosphonic acids
• Alternative Parents: Acetohydroxamic acids Acetamides Organophosphorus compounds Organonitrogen compounds Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organophosphonic acid - Acetamide - Acetohydroxamic acid - Hydroxamic acid - Carboxylic acid derivative - Organic alkali metal salt - Organic sodium salt - Organic oxide - Organic salt - Organophosphorus compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic phosphonic acids. These are organic compounds containing phosphonic 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

Associated Targets(non-human)

Staphylococcus aureus (210822 Activities)

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Acinetobacter (437 Activities)

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Escherichia coli (133304 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Enterococcus faecalis (29875 Activities)

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Plasmodium falciparum (966862 Activities)

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Bacillus anthracis (2936 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: H2O: ≥20 mg/mL
• Sensitivity: light sensitive
• Molecular Weight: 219.110 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 219.027 Da
• Monoisotopic Mass: 219.027 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 211.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

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