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

CAS: 1872387-43-3 Cat. No.: D414194 Molecular Weight: 552.58

GRADE & PURITY ≥98%(HPLC)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

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

Specifications

Specifications & Purity

≥98%(HPLC)

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504773070
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773070
• Canonical Smiles: 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)
• Isomeric SMILES: CN(CCCCCCNC1=C2C=CC(=CC2=NC=C1)Cl)CCCCCCNC3=C4C=CC(=CC4=NC=C3)Cl
• Molecular Weight: 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
    • Class Quinolines and derivatives
      • Subclass Haloquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO
• Molecular Weight: 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