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

CAS: 1872387-43-3 Cat. No.: D414194 Formule: C₃₁H₃₉Cl₂N₅ Poids moléculaire: 552.58

GRADE & PURITY ≥98%(HPLC)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Information

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

Specifications

Spécifications et pureté

≥98%(HPLC)

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

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

Type d'action

INHIBITOR

Pureté

≥98%(HPLC)

Noms et identifiants

• Pubchem Sid: 504773070
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773070
• Sourires canoniques: 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)
• Isomères SMILES: CN(CCCCCCNC1=C2C=CC(=CC2=NC=C1)Cl)CCCCCCNC3=C4C=CC(=CC4=NC=C3)Cl
• Poids moléculaire: 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
• Description: 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in DMSO
• Poids moléculaire: 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