Pyronaridine tetraphosphate

CAT: 0931-T16697-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No

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CAT#:0931-T16697-02Size:1 mL - 10 mM (in DMSO)

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

76748-86-2

Target

Parasite, Topoisomerase

Related Pathways

Microbiology/Virology, DNA Damage/DNA Repair

Purity

0.9982

Bioactivity

Pyronaridine tetraphosphate is an orally active, mannitol-containing inhibitor of DNA topoisomerase 2 and erythrocyte cytokine with antimalarial and antitumour activity.Pyronaridine tetraphosphate treats P. falciparum and Echinococcus granulosus infections. Pyronaridine tetraphosphate treats P. falciparum and Echinococcus granulosus infections and attenuates Ebola virus transmission.

Smiles

O=P(O)(O)O.ClC(C=CC1=C2NC3=CC(CN4CCCC4)=C(O)C(CN5CCCC5)=C3)=CC1=NC6=C2N=C(OC)C=C6.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O

Molecular Formula

C29H44ClN5O18P4

Molecular Weight

910.03

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Pyronaridine tetraphosphate

CAS Number	76748-86-2
PubChem CID	156867
IUPAC Name	4-[(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol;phosphoric acid
Molecular Formula	C29H44ClN5O18P4
Molecular Weight	910.0
Topological Polar Surface Area	385
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	23
Rotatable Bond Count	7
Heavy Atom Count	57
Formal Charge	0
Complexity	757

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

CAS: 76748-86-2

CID: 156867

Formula: C29H44ClN5O18P4

MW: 910.0

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	910.0
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	23
Rotatable Bond Count	7
Exact Mass	909.1320353
Monoisotopic Mass	909.1320353
Topological Polar Surface Area	385 Å²
Heavy Atom Count	57
Formal Charge	0
Complexity	757
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	5
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
HY-14749A-01	Pyronaridine (tetraphosphate)
A1931-S	Pyronaridine Tetraphosphate
A12673-1000	Pyronaridine Tetraphosphate 1000mg
A12673-250	Pyronaridine Tetraphosphate 250mg
A12673-10	Pyronaridine Tetraphosphate 10mg
HY-14749AR-01	Pyronaridine (tetraphosphate) (Standard)
A12673-500	Pyronaridine Tetraphosphate 500mg
A12673-100	Pyronaridine Tetraphosphate 100mg
A12673-50	Pyronaridine Tetraphosphate 50mg
HY-14749AS	Pyronaridine-d4 (tetraphosphate)

Pyronaridine tetraphosphate

Chemical Information

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