Thaxtomin A - ≥98% , CAS No.122380-18-1

CAS: 122380-18-1 Cat. No.: T276425 Peso molecular: 438.43 PubChem CID: 180098

GRADE & PURITY ≥98%

Synonyms

Thaztomin A | (3R,6S)-3-hydroxy-3-[(3-hydroxyphenyl)methyl]-1,4-dimethyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione | Thaxtomin A | SCHEMBL12381685 | Thaxtomine A | HY-124212 | HB4107 | 2,5-Piperazinedione, 3-hydroxy-3-[(3-hydroxyphenyl)methyl]

Storage

Protegido de la luz,Almacenar a -20°C,Desecado

Shipped In

Hielera + almohadillas de hielo

Descripción general

Almacenar a -20°C. Almacenar en condiciones de desecación. El producto puede almacenarse hasta 12 meses.

Specifications

Sinónimos

Thaztomin A | (3R, 6S)-3-hydroxy-3-[(3-hydroxyphenyl)methyl]-1, 4-dimethyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2, 5-dione | Thaxtomin A | SCHEMBL12381685 | Thaxtomine A | HY-124212 | HB4107 | 2, 5-Piperazinedione, 3-hydroxy-3-[(3-hydroxyphenyl)methyl]

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Fitotoxina y potente agente necrótico. Inhibidor de la síntesis de celulosa. Metabolito de la NOS bacteriana. Inhibe la síntesis de celulosa en tejidos vegetales en expansión. Efectos herbicidas in vivo. La inhibición de la síntesis de la celulosa por el

Condiciones de almacenamiento de almacenamiento

Protegido de la luz, Almacenar a -20°C, Desecado

Enviado en

Hielera + almohadillas de hielo

Nota

Siempre que sea posible, prepare y utilice las soluciones el mismo día. No obstante, si necesita preparar soluciones madre con antelación, le recomendamos que almacene la solución como alícuotas en viales herméticamente cerrados a -20°C. Por lo general, podrán utilizarse durante un mes. Antes de su uso, y antes de abrir el vial, le recomendamos que deje que el producto se equilibre a temperatura ambiente durante al menos 1 hora. ¿Necesita más consejos sobre solubilidad, uso y manipulación? Visite nuestra página de preguntas frecuentes (FAQ) para obtener más información.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504757707
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504757707
• Sonrisas canónicas: CN1C(C(=O)N(C(C1=O)(CC2=CC(=CC=C2)O)O)C)CC3=CNC4=C3C(=CC=C4)[N+](=O)[O-]
• IUPAC Name: (3R,6S)-3-hydroxy-3-[(3-hydroxyphenyl)methyl]-1,4-dimethyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione
• InChIKey: QRDNJYNIEGRRKV-PGRDOPGGSA-N
• INCHI: 1S/C22H22N4O6/c1-24-18(10-14-12-23-16-7-4-8-17(19(14)16)26(31)32)20(28)25(2)22(30,21(24)29)11-13-5-3-6-15(27)9-13/h3-9,12,18,23,27,30H,10-11H2,1-2H3/t18-,22+/m0/s1
• Isómeros SMILES: CN1[C@H](C(=O)N([C@](C1=O)(CC2=CC(=CC=C2)O)O)C)CC3=CNC4=C3C(=CC=C4)[N+](=O)[O-]
• PubChem CID: 180098
• Peso molecular: 438.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase 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
• Clase: 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: 3-alkylindoles 2,5-dioxopiperazines Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids N-methylpiperazines Substituted pyrroles Benzene and substituted derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Alkanolamines Azacyclic compounds Organic zwitterions Organopnictogen compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid or derivatives - 3-alkylindole - Indole - Indole or derivatives - Nitroaromatic compound - Dioxopiperazine - 2,5-dioxopiperazine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - N-alkylpiperazine - N-methylpiperazine - Phenol - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Tertiary carboxylic acid amide - Carboxamide group - Lactam - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Alkanolamine - Azacycle - Organic zwitterion - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: 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

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in ethanol and in DMSO
• Sensibilidad: Light sensitive
• Peso molecular: 438.400 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 438.154 Da
• Monoisotopic Mass: 438.154 Da
• Topological Polar Surface Area: 143.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 759.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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