Auxinole - ≥98% , CAS No.86445-22-9

CAS: 86445-22-9 Cat. No.: A413687 Formula: C₂₀H₁₉NO₃ Peso molecolare: 321.37

GRADE & PURITY ≥98%

Synonyms

α-[2,4-dimethylphenylethyl-2-oxo]-IAA, α-[2-(2,4-Dimethylphenyl)-2-oxoethyl]-1H-indole-3-acetic acid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Information

Auxinole is a potent auxin antagonist of TIR1/AFB receptors that binds TIR1 to block the formation of the TIR1-IAA-Aux/IAA complex. Auxinole inhibits auxin-responsive gene expression.

Specifications

Sinonimi

α-[2,4-dimethylphenylethyl-2-oxo]-IAA, α-[2-(2,4-Dimethylphenyl)-2-oxoethyl]-1H-indole-3-acetic acid

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

Auxinole is a potent auxin antagonist of TIR1/AFB receptors that binds TIR1 to block the formation of the TIR1-IAA-Aux/IAA complex. Auxinole inhibits auxin-responsive gene expression.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

ANTAGONIST

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488198350
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488198350
• Sorrisi canonici: CC1=CC(=C(C=C1)C(=O)CC(C2=CNC3=CC=CC=C32)C(=O)O)C
• IUPAC Name: 4-(2,4-dimethylphenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid
• InChIKey: HGUYAIJBXSQXGV-UHFFFAOYSA-N
• INCHI: 1S/C20H19NO3/c1-12-7-8-14(13(2)9-12)19(22)10-16(20(23)24)17-11-21-18-6-4-3-5-15(17)18/h3-9,11,16,21H,10H2,1-2H3,(H,23,24)
• Isomeri SMILES: CC1=CC(=C(C=C1)C(=O)CC(C2=CNC3=CC=CC=C32)C(=O)O)C
• Peso molecolare: 321.37
• Reaxy-Rn: 32950496
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32950496&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indolyl carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indolyl carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indole-3-acetic acid derivatives
• Alternative Parents: Alkyl-phenylketones Butyrophenones 3-alkylindoles m-Xylenes Gamma-keto acids and derivatives Benzoyl derivatives Aryl alkyl ketones Substituted pyrroles Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyl-phenylketone - Indole-3-acetic acid derivative - Butyrophenone - 3-alkylindole - Phenylketone - Indole - Benzoyl - M-xylene - Xylene - Gamma-keto acid - Aryl alkyl ketone - Aryl ketone - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Keto acid - Heteroaromatic compound - Pyrrole - Ketone - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as indole-3-acetic acid derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 321.400 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 321.136 Da
• Monoisotopic Mass: 321.136 Da
• Topological Polar Surface Area: 70.200 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 478.000
• 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: 1