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Pyronaridine (tetraphosphate)

CAT: 0804-HY-14749A-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-14749A-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Pyronaridine tetraphosphate is an orally active Mannich base anti-malarial agent. Pyronaridine tetraphosphate is active against P. falciparum and Echinococcus granulosus infection[1][2].
CAS Number
76748-86-2
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Parasite
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection; Cancer
Purity
98.79
Solubility
DMSO : 12.5 mg/mL (ultrasonic) |H2O : 25 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
OC1=C(CN2CCCC2)C=C(NC3=C4N=C(OC)C=CC4=NC5=CC(Cl)=CC=C53)C=C1CN6CCCC6.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O
Molecular Formula
C29H44ClN5O18P4
Molecular Weight
910.03
Precautions
H302, H315, H319, H335
References & Citations
[1]Vivas L, et al. Anti-malarial efficacy of pyronaridine and artesunate in combination in vitro and in vivo. Acta Trop. 2008 Mar;105 (3) :222-8.|[2]Jun Li, et al. Old drug repurposing for neglected disease: Pyronaridine as a promising candidate for the treatment of Echinococcus granulosus infections. EBioMedicine. 2020 Apr;54:102711.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
Launched
Isoform
Plasmodium

Chemical Information

Pyronaridine tetraphosphate
CAS Number76748-86-2
PubChem CID156867
IUPAC Name4-[(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol;phosphoric acid
Molecular FormulaC29H44ClN5O18P4
Molecular Weight910.0
Topological Polar Surface Area385
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count23
Rotatable Bond Count7
Heavy Atom Count57
Formal Charge0
Complexity757
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
InChI
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)
InChIKey
YKUQEKXHQFYULM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyronaridine tetraphosphate
CAS: 76748-86-2
CID: 156867
Formula: C29H44ClN5O18P4
MW: 910.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight910.0
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count23
Rotatable Bond Count7
Exact Mass909.1320353
Monoisotopic Mass909.1320353
Topological Polar Surface Area385 Ų
Heavy Atom Count57
Formal Charge0
Complexity757
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T16697-01Pyronaridine tetraphosphate
A12673-1000Pyronaridine Tetraphosphate 1000mg
A12673-250Pyronaridine Tetraphosphate 250mg
A12673-10Pyronaridine Tetraphosphate 10mg
A12673-500Pyronaridine Tetraphosphate 500mg
A12673-100Pyronaridine Tetraphosphate 100mg
A12673-50Pyronaridine Tetraphosphate 50mg
CS-O-11238Pyronaridine-d4 Tetraphosphate
AR-P33449-01Pyronaridine-13C2-d4 Tetraphosphate
A12673-10mM-DPyronaridine Tetraphosphate 10mM * 1mL in DMSO

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