LC3-mHTT-IN-AN1 - ≥97%, cis–trans isomerism mixture , CAS No.486443-73-6

CAS: 486443-73-6 Cat. No.: L420033 Fórmula: C₁₅H₉Br₂NO₃ Peso molecular: 411.04

GRADE & PURITY ≥97%, cis–trans isomerism mixture

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 -20°C

Shipped In

Ice chest + Ice pads

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

Especificações e pureza

≥97%, cis–trans isomerism mixture

Mecanismos bioquímicos e 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

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 504760630
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760630
• Sorrisos canónicos: 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-
• SMILES isoméricas: 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
    • Classe Indoles and derivatives
      • Subclass Indolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

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

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 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.