Desethyl chloroquine diphosphate - ≥99% , CAS No.247912-76-1

CAS: 247912-76-1 Cat. No.: D648246 Summenformel: C₁₆H₂₈ClN₃O₈P₂ Molekulargewicht: 487.81 PubChem CID: 49849615

GRADE & PURITY ≥99%

Synonyms

AKOS040732954 | Desethyl chloroquine diphosphate | 4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine;phosphoric acid | Phosphoric acid--N~4~-(7-chloroquinolin-4-yl)-N~1~-ethylpentane-1,4-diamine (2/1) | HY-135811A | DTXSID70678694 | F82553 | Deseth

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Übersicht

Desethyl chloroquine diphosphate is a major desethyl metabolite of Chloroquine. Chloroquine diphosphate is an inhibitor of autophagy and toll-like receptors (TLRs) . Desethyl chloroquine diphosphate possesses antiplasmodic activity

In Vivo

Intraperitoneal injections of Chloroquine are administered to wild-type and Huntington's disease (Q175/Q175) mice. LC-MS/MS is used to compare the levels Chloroquine and its metabolites in blood, brain and muscle tissue. Concentrations of Chloroquine are lower (5-15M), but more stable in brain tissue compared to blood or muscle between 4 and 24 hours after the last dose. Levels of the active Chloroquine metabolite Desethyl chloroquine decreased in muscle and blood over the 24 hour post-injection period, while brain Desethyl chloroquine levels are lower and rose slightly over the same time frame. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:Plasmodium TLRs

Specifications

Synonyme

AKOS040732954 | Desethyl chloroquine diphosphate | 4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine;phosphoric acid | Phosphoric acid--N~4~-(7-chloroquinolin-4-yl)-N~1~-ethylpentane-1,4-diamine (2/1) | HY-135811A | DTXSID70678694 | F82553 | Deseth

Spezifikationen & Reinheit

≥99%

Biochemische und physiologische Mechanismen

Desethyl chloroquine diphosphate is a major desethyl metabolite of Chloroquine. Chloroquine diphosphate is an inhibitor of autophagy and toll-like receptors (TLRs) . Desethyl chloroquine diphosphate possesses antiplasmodic activity.

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

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

Aktionsart

INHIBITOR

Reinheit

≥99%

Namen und Kennungen

Kanonisches Lächeln

CCNCCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)O.OP(=O)(O)O

IUPAC Name

4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine;phosphoric acid

InChIKey

PIKNKEKUPZTKFZ-UHFFFAOYSA-N

INCHI

1S/C16H22ClN3.2H3O4P/c1-3-18-9-4-5-12(2)20-15-8-10-19-16-11-13(17)6-7-14(15)16;2*1-5(2,3)4/h6-8,10-12,18H,3-5,9H2,1-2H3,(H,19,20);2*(H3,1,2,3,4)

Isomere SMILES

CCNCCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)O.OP(=O)(O)O

Alternative CAS-Nummer

247912-76-1

PubChem CID

49849615

Molekulargewicht

487.81

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 Aminopyridines and derivatives Organic phosphoric acids and derivatives Benzenoids Aryl chlorides Heteroaromatic compounds Dialkylamines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-aminoquinoline - Haloquinoline - Chloroquinoline - Aminopyridine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Organic phosphoric acid derivative - Pyridine - Benzenoid - Heteroaromatic compound - Azacycle - Secondary aliphatic amine - Secondary amine - Amine - Organonitrogen compound - Organochloride - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen 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

Chemische und physikalische Eigenschaften

• Löslichkeit: H2O : 20 mg/mL (41.00 mM; ultrasonic and warming and heat to 80°C) DMSO : 2.63 mg/mL (5.39 mM; ultrasonic and warming and heat to 60°C)