LC3-mHTT-IN-AN1 - 10mM in DMSO , CAS No.486443-73-6

CAS: 486443-73-6 Cat. No.: L580431 Fórmula: C₁₅H₉Br₂NO₃ Peso molecular: 411.04

GRADE & PURITY 10mM in DMSO

Synonyms

AN1；5-Bromo-3-[(3-bromo-4,5-dihydroxyphenyl)methylene]-1,3-dihydro-2H-indol-2-one；mHTT-LC3 linker AN1；(Z)-5-bromo-3-(3-bromo-4,5-dihydroxybenzylidene)indolin-2-one

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Sinónimos

AN1；5-Bromo-3-[(3-bromo-4,5-dihydroxyphenyl)methylene]-1,3-dihydro-2H-indol-2-one；mHTT-LC3 linker AN1；(Z)-5-bromo-3-(3-bromo-4,5-dihydroxybenzylidene)indolin-2-one

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

AN1 is a brain blood barrier penetrant agent that tether LC3 and mHTT and targets mHTT for autophagosome degradation. AN1 significantly lower mHTT in cortices of HD mice, in cells from patients with Huntington′s disease, and neurons derived from induced p

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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

Nombres e identificadores

Sonrisas canónicas

C1=CC2=C(C=C1Br)C(=CC3=CC(=C(C(=C3)Br)O)O)C(=O)N2

IUPAC Name

(3Z)-5-bromo-3-[(3-bromo-4,5-dihydroxyphenyl)methylidene]-1H-indol-2-one

InChIKey

GPKLWRHHVIBYEO-KMKOMSMNSA-N

INCHI

1S/C15H9Br2NO3/c16-8-1-2-12-9(6-8)10(15(21)18-12)3-7-4-11(17)14(20)13(19)5-7/h1-6,19-20H,(H,18,21)/b10-3-

Isómeros SMILES

C1=CC2=C(C=C1Br)/C(=C/C3=CC(=C(C(=C3)Br)O)O)/C(=O)N2

Peso molecular

411.04

Reaxy-Rn

35432673

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35432673&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Indolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Indolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolines
• Alternative Parents: Catechols O-bromophenols M-bromophenols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Bromobenzenes Aryl bromides Secondary carboxylic acid amides Lactams Azacyclic compounds Organic oxides Carbonyl compounds Organobromides Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroindole - Catechol - 3-halophenol - 2-halophenol - 3-bromophenol - 2-bromophenol - Bromobenzene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Phenol - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
• 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

Propiedades químicas y físicas

• Solubilidad: DMSO: 2 mg/mL, clear
• Peso molecular: 411.040 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 410.893 Da
• Monoisotopic Mass: 408.895 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 456.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

Preguntas frecuentes

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

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

The CAS Number is 486443-73-6, the molecular formula is C15H9Br2NO3, and the molecular weight is 411.04 g/mol. InChIKey GPKLWRHHVIBYEO-KMKOMSMNSA-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.