Eflornithine hydrochloride hydrate - ≥98%(T) , Ornithine decarboxylase inhibitor, CAS No.96020-91-6, Ornithine decarboxylase inhibitor

CAS: 96020-91-6 Cat. No.: E156175 Molecular Weight: 236.65 EC Number: 619-187-0

GRADE & PURITY ≥98%(T)

Synonyms

Eflornithine hydrochloride monohydrate | Florexa | (4-METHYLSULFANYL-PHENYL)-PHOSPHONICACIDDIETHYLESTER | A845532 | EFLORNITHINE HYDROCHLORIDE [WHO-DD] | NCGC00093850-01 | Tox21_111224 | 2-(Difluoromethyl)-DL-ornithine hydrochloride | DL-Ornithine, 2-(dif

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Eflornithine(Difluoromethylornithine) inhibits polyamine biosynthesis by the selective, irreversible inhibition of ornithine decarboxylase (ODC). A chemoprotective agent that blocks angiogenesis. Its biological half-life is 8 hours.

A cell-permeable, anticancer agent that acts as a specific and irreversible inhibitor of ornithine decarboxylase (ODC), the rate-limiting enzyme in polyamine biosynthesis. Inhibits B16 melanoma-induced angiogenesis in ovo and proliferation of vascular endothelial cells in vitro.

Specifications

Synonyms

Eflornithine hydrochloride monohydrate | Florexa | (4-METHYLSULFANYL-PHENYL)-PHOSPHONICACIDDIETHYLESTER | A845532 | EFLORNITHINE HYDROCHLORIDE [WHO-DD] | NCGC00093850-01 | Tox21_111224 | 2-(Difluoromethyl)-DL-ornithine hydrochloride | DL-Ornithine, 2-(dif

Specifications & Purity

≥98%(T)

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

Ornithine decarboxylase inhibitor

Purity

≥98%(T)

Names and Identifiers

• Pubchem Sid: 504758762
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758762
• Canonical Smiles: C(CC(C(F)F)(C(=O)O)N)CN.O.Cl
• IUPAC Name: 2,5-diamino-2-(difluoromethyl)pentanoic acid;hydrate;hydrochloride
• InChIKey: FJPAMFNRCFEGSD-UHFFFAOYSA-N
• INCHI: 1S/C6H12F2N2O2.ClH.H2O/c7-4(8)6(10,5(11)12)2-1-3-9;;/h4H,1-3,9-10H2,(H,11,12);1H;1H2
• Isomeric SMILES: C(CC(C(F)F)(C(=O)O)N)CN.O.Cl
• RTECS: RM2981900
• Alternate CAS: 70052-12-9
• Molecular Weight: 236.65
• Reaxy-Rn: 13338246
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13338246&ln=

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 Alpha amino acids

• 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: Alpha amino acids
• Alternative Parents: Halogenated fatty acids Branched fatty acids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organofluorides Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-amino acid - Branched fatty acid - Halogenated fatty acid - Fatty acid - Fatty acyl - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl fluoride - Hydrochloride - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Amine - Organic nitrogen compound - Alkyl halide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
• 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)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Cryptococcus neoformans (21258 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: H2O : ≥ 57 mg/mL (240.87 mM)
• Sensitivity: heat sensitive
• Melt Point(°C): 183°C(lit.)
• Molecular Weight: 236.640 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 236.074 Da
• Monoisotopic Mass: 236.074 Da
• Topological Polar Surface Area: 90.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 166.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

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