Piperaquine phosphate - 2mM in Water , CAS No.85547-56-4

CAS: 85547-56-4 Cat. No.: P426376 Summenformel: C₂₉H₃₂Cl₂N₆.H₃O₄P Molekulargewicht: 633.51 PubChem CID: 174478

GRADE & PURITY 2mM in Water

Synonyms

1,3-Bis(4-(7-chloroquinolin-4-yl)piperazin-1-yl)propane xphosphate | s5355 | UNII-5A17BAT3GK | AKOS015896507 | AS-10594 | 5A17BAT3GK | 1215783-76-8 | SB19151 | 1,3-Bis(4-(7-chloroquinolin-4-yl)piperazin-1-yl)propane phosphate | Piperaquine (phosphate) | 4

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

Information

Piperaquine phosphate is an orally active bisquinolone antimalarial drug.

Specifications

Synonyme

1,3-Bis(4-(7-chloroquinolin-4-yl)piperazin-1-yl)propane xphosphate | s5355 | UNII-5A17BAT3GK | AKOS015896507 | AS-10594 | 5A17BAT3GK | 1215783-76-8 | SB19151 | 1,3-Bis(4-(7-chloroquinolin-4-yl)piperazin-1-yl)propane phosphate | Piperaquine (phosphate) | 4

Spezifikationen & Reinheit

2mM in Water

Biochemische und physiologische Mechanismen

Piperaquine phosphate is an orally active bisquinolone antimalarial drug.

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

5.012

Rotationsfähige Bindung

6

Namen und Kennungen

Pubchem Sid

528774333

Kanonisches Lächeln

C1CN(CCN1CCCN2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)C5=C6C=CC(=CC6=NC=C5)Cl.OP(=O)(O)O

IUPAC Name

7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline;phosphoric acid

InChIKey

KATNPMSTHHZOTK-UHFFFAOYSA-N

INCHI

1S/C29H32Cl2N6.H3O4P/c30-22-2-4-24-26(20-22)32-8-6-28(24)36-16-12-34(13-17-36)10-1-11-35-14-18-37(19-15-35)29-7-9-33-27-21-23(31)3-5-25(27)29;1-5(2,3)4/h2-9,20-21H,1,10-19H2;(H3,1,2,3,4)

Isomere SMILES

C1CN(CCN1CCCN2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)C5=C6C=CC(=CC6=NC=C5)Cl.OP(=O)(O)O

PubChem CID

174478

Molekulargewicht

633.51

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinylpiperazines
• Alternative Parents: N-arylpiperazines 4-aminoquinolines Chloroquinolines Dialkylarylamines Aminopyridines and derivatives N-alkylpiperazines Aryl chlorides Benzenoids Organic phosphoric acids and derivatives Heteroaromatic compounds Trialkylamines Azacyclic compounds Organochlorides Organopnictogen compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyridinylpiperazine - N-arylpiperazine - Aminoquinoline - 4-aminoquinoline - Haloquinoline - Chloroquinoline - Quinoline - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aminopyridine - N-alkylpiperazine - Aryl chloride - Aryl halide - Organic phosphoric acid derivative - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Amine - Organonitrogen compound - Organochloride - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a ring.
• 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 (nicht menschlich)

Plasmodium berghei (192651 Activities)

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Mus musculus (284745 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• DMSO (mg/ml) Maximale Löslichkeit: ＜1
• Wasser (mg/ml) Maximale Löslichkeit: 2
• Wasser (mM) Maximale Löslichkeit: 3.15701409606794
• Molekulargewicht: 633.500 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 632.183 Da
• Monoisotopic Mass: 632.183 Da
• Topological Polar Surface Area: 117.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 704.000
• 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: 2

XLogP3