PEO-IAA - ≥98% , CAS No.6266-66-6

CAS: 6266-66-6 Cat. No.: P413635 Fórmula: C₁₈H₁₅NO₃ Peso molecular: 293.33 Número EC: 108-405-5 PubChem CID: 235453

GRADE & PURITY ≥98%

Synonyms

(+/-)- -Methoxy- -trifluoromethylphenylacetic acid | Opera_ID_1008 | 2-(1H-Indol-3-yl)-4-oxo-4-phenylbutanoic acid # | 2-indol-3-yl-4-oxo-4-phenylbutanoic acid | AKOS000300600 | 1,2-Benzenediol, 4-[2-(methylamino)ethyl]-hydrochloride | BCP32692 | HMS2637H

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

PEO-IAA (2-(1H-Indol-3-yl)-4-oxo-4-phenyl-butyric acid) is a novel potentauxinantagonist that binds totransport inhibitor response 1/auxin signaling F-box proteins (TIR1/AFBs). PEO-IAA suppresses not only the expression of an auxin-responsive ZmSAUR2 gene, but also gravitropic curvature.

Specifications

Sinónimos

(+/-)- -Methoxy- -trifluoromethylphenylacetic acid | Opera_ID_1008 | 2-(1H-Indol-3-yl)-4-oxo-4-phenylbutanoic acid # | 2-indol-3-yl-4-oxo-4-phenylbutanoic acid | AKOS000300600 | 1,2-Benzenediol, 4-[2-(methylamino)ethyl]-hydrochloride | BCP32692 | HMS2637H

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

ANTAGONIST

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504758020
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758020
• Sonrisas canónicas: C1=CC=C(C=C1)C(=O)CC(C2=CNC3=CC=CC=C32)C(=O)O
• IUPAC Name: 2-(1H-indol-3-yl)-4-oxo-4-phenylbutanoic acid
• InChIKey: SJVMWLJNHPHNPT-UHFFFAOYSA-N
• INCHI: 1S/C18H15NO3/c20-17(12-6-2-1-3-7-12)10-14(18(21)22)15-11-19-16-9-5-4-8-13(15)16/h1-9,11,14,19H,10H2,(H,21,22)
• Isómeros SMILES: C1=CC=C(C=C1)C(=O)CC(C2=CNC3=CC=CC=C32)C(=O)O
• PubChem CID: 235453
• Peso molecular: 293.33

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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 Gamma-keto acids and derivatives Benzoyl derivatives Aryl alkyl ketones Substituted pyrroles Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen 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 - Gamma-keto acid - Aryl alkyl ketone - Aryl ketone - Monocyclic benzene moiety - Keto acid - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Ketone - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: 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

Objetivos asociados (humanos)

HEK293 (82097 Activities)

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

MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)

Discover Target: MBNL1

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microRNA 21 (64692 Activities)

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

MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

Discover Target: MEN1

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

Objetivos asociados (no humanos)

Pkm Pyruvate kinase isozymes M1/M2 (66 Activities)

Discover Target: Pkm

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Plasmodium falciparum (966862 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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TGR Thioredoxin glutathione reductase (28579 Activities)

Discover Target: TGR

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Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

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NS1 Nonstructural protein 1 (33327 Activities)

Discover Target: NS1

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Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 293.300 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 293.105 Da
• Monoisotopic Mass: 293.105 Da
• Topological Polar Surface Area: 70.200 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 417.000
• 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

Preguntas frecuentes

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 6266-66-6, the molecular formula is C18H15NO3, and the molecular weight is 293.33 g/mol. InChIKey SJVMWLJNHPHNPT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.