Pyronaridine tetraphosphate - ≥98% , CAS No.76748-86-2

CAS: 76748-86-2 Cat. No.: P304585 Molecular Weight: 910.03 EC Number: 633-305-8

GRADE & PURITY ≥98%

Synonyms

Pyranaridine tetraphosphate | 4-[(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol;phosphoric acid | dehydroepiandrosterone-sulfate | AS-49343 | Pyronaridine phosphate | BCP21166 | PYRONARIDINE PHOSPHATE [WHO-D

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

Pyranaridine tetraphosphate | 4-[(7-chloro-2-methoxybenzo[b][1, 5]naphthyridin-10-yl)amino]-2, 6-bis(pyrrolidin-1-ylmethyl)phenol;phosphoric acid | dehydroepiandrosterone-sulfate | AS-49343 | Pyronaridine phosphate | BCP21166 | PYRONARIDINE PHOSPHATE [WHO-D

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Antimalarial agent found to enhance antitumor activity of doxorubicin against multidrug-resistant cancers. Active in vivo and in vitro .

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: COC1=NC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NC4=CC(=C(C(=C4)CN5CCCC5)O)CN6CCCC6.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O
• IUPAC Name: 4-[(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol;phosphoric acid
• InChIKey: YKUQEKXHQFYULM-UHFFFAOYSA-N
• INCHI: 1S/C29H32ClN5O2.4H3O4P/c1-37-26-9-8-24-28(33-26)27(23-7-6-21(30)16-25(23)32-24)31-22-14-19(17-34-10-2-3-11-34)29(36)20(15-22)18-35-12-4-5-13-35;4*1-5(2,3)4/h6-9,14-16,36H,2-5,10-13,17-18H2,1H3,(H,31,32);4*(H3,1,2,3,4)
• Isomeric SMILES: COC1=NC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NC4=CC(=C(C(=C4)CN5CCCC5)O)CN6CCCC6.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O
• Alternate CAS: 74847-35-1
• Molecular Weight: 910.03

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Aminoquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-aminoquinolines
• Alternative Parents: Chloroquinolines Naphthyridines p-Aminophenols Aniline and substituted anilines Phenylmethylamines Benzylamines Alkyl aryl ethers Aminopyridines and derivatives Aralkylamines Primary aromatic amines Aryl chlorides Organic phosphoric acids and derivatives N-alkylpyrrolidines Heteroaromatic compounds Trialkylamines Azacyclic compounds Secondary amines Organic oxides Hydrocarbon derivatives Organochlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-aminoquinoline - Haloquinoline - Chloroquinoline - Naphthyridine - P-aminophenol - Aminophenol - Benzylamine - Aniline or substituted anilines - Phenylmethylamine - Alkyl aryl ether - Aminopyridine - Phenol - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Organic phosphoric acid derivative - Benzenoid - Primary aromatic amine - Pyridine - N-alkylpyrrolidine - Pyrrolidine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Secondary amine - Ether - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: 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

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive.
• Molecular Weight: 910.000 g/mol
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 23
• Rotatable Bond Count: 7
• Exact Mass: 909.132 Da
• Monoisotopic Mass: 909.132 Da
• Topological Polar Surface Area: 385.000 Ų
• Heavy Atom Count: 57
• Formal Charge: 0
• Complexity: 757.000
• 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: 5

XLogP3