EAD1 - 10mM in DMSO , CAS No.1644388-26-0(free base)

CAS: 1644388-26-0(free base) Cat. No.: E422036 Summenformel: C₂₆H₂₈Cl₂F₃N₇O₂ Molekulargewicht: 598.45

QUALITÄT & REINHEIT 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

EAD1 is a potent autophagy inhibitor with an IC50 of 5.8 μM in the BxPC3 cells. It has antiproliferative activities in lung and pancreatic cancer cells.

Spezifikationen

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Produkteigenschaften

ALogP

2.308

hba_count

4

HBD-Zahl

2

Rotationsfähige Bindung

12

Namen und Kennungen

Kanonisches Lächeln

CN(CCNCC1=CN(N=N1)CC2=CC=C(C=C2)Cl)CCNC3=C4C=CC(=CC4=NC=C3)Cl

IUPAC Name

N-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-N'-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-N'-methylethane-1,2-diamine

InChIKey

NUQMXKCBSUXVTG-UHFFFAOYSA-N

INCHI

1S/C24H27Cl2N7/c1-32(13-11-29-23-8-9-28-24-14-20(26)6-7-22(23)24)12-10-27-15-21-17-33(31-30-21)16-18-2-4-19(25)5-3-18/h2-9,14,17,27H,10-13,15-16H2,1H3,(H,28,29)

Isomere SMILES

CN(CCNCC1=CN(N=N1)CC2=CC=C(C=C2)Cl)CCNC3=C4C=CC(=CC4=NC=C3)Cl

Molekulargewicht

598.45

Reaxy-Rn

27929121

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27929121&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Quinolines and derivatives
      • Subclass Aminoquinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Quinolines and derivatives
• Subclass: Aminoquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-aminoquinolines
• Alternative Parents: Chloroquinolines Secondary alkylarylamines Chlorobenzenes Aralkylamines Aminopyridines and derivatives Aryl chlorides Triazoles Heteroaromatic compounds Trialkylamines Dialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chloroquinoline - Haloquinoline - 4-aminoquinoline - Aminopyridine - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aralkylamine - Aryl halide - Benzenoid - Aryl chloride - Pyridine - Monocyclic benzene moiety - 1,2,3-triazole - Heteroaromatic compound - Azole - Tertiary aliphatic amine - Tertiary amine - Secondary amine - Azacycle - Secondary aliphatic amine - Amine - Organochloride - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organohalogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 4-aminoquinolines. These are organic compounds containing an amino group attached to the 4-position of a quinoline ring system.
• 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

Zugehörige Ziele (menschlich)

BXPC-3 (2997 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NCI-H460 (60772 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• DMSO (mg/ml) Maximale Löslichkeit: 100
• DMSO (mM) Maximale Löslichkeit: 167.0983374
• Wasser (mg/ml) Maximale Löslichkeit: 100
• Wasser (mM) Maximale Löslichkeit: 167.0983374
• Molekulargewicht: 484.400 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 483.17 Da
• Monoisotopic Mass: 483.17 Da
• Topological Polar Surface Area: 70.900 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 563.000
• 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