Cloridrato de eflornitina hidratado - ≥98%(T) , Ornithine decarboxylase inhibitor, CAS No.96020-91-6, Ornithine decarboxylase inhibitor

CAS: 96020-91-6 Cat. No.: E156175 Fórmula: C₆H₁₂F₂N₂O₂·HCl·H₂O Peso molecular: 236.65 Número CE: 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

Armazenar a 2-8°C

Shipped In

Gelo húmido

Visão geral

A eflornitina (difluorometilornitina) inibe a biossíntese das poliaminas através da inibição selectiva e irreversível da ornitina descarboxilase (ODC). Agente quimioprotector que bloqueia a angiogénese. A sua semi-vida biológica é de 8 horas.

Agente anticancerígeno permeável às células que actua como inibidor específico e irreversível da ornitina descarboxilase (ODC), a enzima limitadora da taxa de biossíntese das poliaminas. Inibe a angiogénese in ovo induzida pelo melanoma B16 e a proliferação de células endoteliais vasculares in vitro.

Specifications

Sinónimos

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

Especificações e pureza

≥98%(T)

Condições de armazenamento de armazenamento

Armazenar a 2-8°C

Enviado em

Gelo húmido

Tipo de ação

INHIBITOR

Mecanismo de ação

Ornithine decarboxylase inhibitor

Pureza

≥98%(T)

Nomes e identificadores

• Pubchem Sid: 504758762
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758762
• Sorrisos canónicos: 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
• SMILES isoméricas: C(CC(C(F)F)(C(=O)O)N)CN.O.Cl
• RTECS: RM2981900
• CAS alternativo: 70052-12-9
• Peso molecular: 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
    • Classe 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
• Classe: 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
• Descrição: 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

Alvos associados (não humanos)

Pseudomonas aeruginosa (123386 Activities)

Explore this target

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

Klebsiella pneumoniae (43867 Activities)

Explore this target

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

Staphylococcus aureus (210822 Activities)

Explore this target

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

Acinetobacter baumannii (41033 Activities)

Explore this target

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

Escherichia coli (133304 Activities)

Explore this target

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

Cryptococcus neoformans (21258 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: H2O : ≥ 57 mg/mL (240.87 mM)
• Sensibilidade: heat sensitive
• Ponto de fusão (°C): 183°C(lit.)
• Peso molecular: 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

XLogP3