Piperaquine phosphate - ≥98% , CAS No.85547-56-4

CAS: 85547-56-4 Cat. No.: P413276 Formule: C₂₉H₃₂Cl₂N₆.H₃O₄P Poids moléculaire: 633.51 PubChem CID: 174478

GRADE & PURITY ≥98%

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 -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Information

Piperaquine phosphate is an orally active bisquinolone antimalarial drug.

Specifications

Synonymes

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

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

Piperaquine phosphate is an orally active bisquinolone antimalarial drug.

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.

Pureté

≥98%

Propriétés du produit

ALogP

5.012

Liaison rotative

6

Noms et identifiants

Pubchem Sid

488188485

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188485

Sourires canoniques

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)

Isomères 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

Poids moléculaire

633.51

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Description: 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

Cibles associées (non humaines)

Plasmodium berghei (192651 Activities)

Explore this target

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

Mus musculus (284745 Activities)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• DMSO (mg/mL) Solubilité maximale: ＜1
• Eau (mg/mL) Solubilité maximale: 2
• Eau (mM) Solubilité maximale: 3.15701409606794
• Poids moléculaire: 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 85547-56-4, the molecular formula is C29H32Cl2N6.H3O4P, and the molecular weight is 633.51 g/mol. InChIKey KATNPMSTHHZOTK-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.