DC661 - ≥98%(HPLC) , CAS No.1872387-43-3

CAS: 1872387-43-3 Cat. No.: D414194 Fórmula: C₃₁H₃₉Cl₂N₅ Peso molecular: 552.58

GRADE & PURITY ≥98%(HPLC)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

DC661 is capable of deacidifying the lysosome and inhibitingautophagysignificantly better than hydroxychloroquine (HCQ). DC661 inducesapoptosis.

Specifications

Especificações e pureza

≥98%(HPLC)

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.

Tipo de ação

INHIBITOR

Pureza

≥98%(HPLC)

Nomes e identificadores

• Pubchem Sid: 504773070
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773070
• Sorrisos canónicos: CN(CCCCCCNC1=C2C=CC(=CC2=NC=C1)Cl)CCCCCCNC3=C4C=CC(=CC4=NC=C3)Cl
• IUPAC Name: N-(7-chloroquinolin-4-yl)-N'-[6-[(7-chloroquinolin-4-yl)amino]hexyl]-N'-methylhexane-1,6-diamine
• InChIKey: VJKCWFZTSDXOBS-UHFFFAOYSA-N
• INCHI: 1S/C31H39Cl2N5/c1-38(20-8-4-2-6-16-34-28-14-18-36-30-22-24(32)10-12-26(28)30)21-9-5-3-7-17-35-29-15-19-37-31-23-25(33)11-13-27(29)31/h10-15,18-19,22-23H,2-9,16-17,20-21H2,1H3,(H,34,36)(H,35,37)
• SMILES isoméricas: CN(CCCCCCNC1=C2C=CC(=CC2=NC=C1)Cl)CCCCCCNC3=C4C=CC(=CC4=NC=C3)Cl
• Peso molecular: 552.58
• Reaxy-Rn: 29254952
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29254952&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass Haloquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Haloquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Haloquinolines
• Alternative Parents: Secondary alkylarylamines Methylpyridines Benzenoids Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Haloquinoline - Methylpyridine - Secondary aliphatic/aromatic amine - Benzenoid - Pyridine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as haloquinolines. These are compounds containing a quinoline moiety, which is substituted at one or more ring positions by n halogen atom.
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in DMSO
• Peso molecular: 552.600 g/mol
• XLogP3: 8.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 16
• Exact Mass: 551.258 Da
• Monoisotopic Mass: 551.258 Da
• Topological Polar Surface Area: 53.100 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 587.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1