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

CAS: 486443-73-6 Cat. No.: L580431 Formule: C₁₅H₉Br₂NO₃ Poids moléculaire: 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

Synonymes

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

Spécifications et pureté

10mM in DMSO

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

Sourires canoniques

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-

Isomères SMILES

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

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: DMSO: 2 mg/mL, clear
• Poids moléculaire: 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

Foire aux questions

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.