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Naphthoquine (phosphate)

CAT: 0804-HY-17036-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-17036-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Naphthoquine phosphate is a potent and orally active antimalarial agent. Naphthoquine phosphate has thorough killing function for various schizonts of plasmodia, including resistance of P. falciparum to Chloroquine[1][2].
CAS Number
173531-58-3
UNSPSC
12352005
Target
Parasite
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/Naphthoquine-phosphate.html
Purity
99.59
Solubility
DMSO : < 1 mg/mL (ultrasonic) |H2O : 3.33 mg/mL (ultrasonic)
Smiles
ClC1=CC=C(C(NC2=C(CCCC3)C3=C(O)C(CNC(C)(C)C)=C2)=CC=N4)C4=C1.O=P(O)(O)O.O=P(O)(O)O
Molecular Formula
C24H34ClN3O9P2
Molecular Weight
605.94
References & Citations
[1]Wang JY, et al. Therapeutic efficacy of naphthoquine phosphate combined with artemisinine against Plasmodium knowlesi. Zhongguo Ji Sheng Chong Xue Yu Ji Sheng Chong Bing Za Zhi. 2008 Dec 30;26 (6) :442-4.|[2]Wang JY, et al. Naphthoquine phosphate and its combination with artemisinine. Acta Trop. 2004 Feb;89 (3) :375-81.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Plasmodium

Chemical Information

Naphthoquine phosphate
CAS Number173531-58-3
PubChem CID9851774
IUPAC Name2-[(tert-butylamino)methyl]-4-[(7-chloroquinolin-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;phosphoric acid
Molecular FormulaC24H34ClN3O9P2
Molecular Weight605.9
Topological Polar Surface Area213
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Heavy Atom Count39
Formal Charge0
Complexity588
SMILES
CC(C)(C)NCC1=CC(=C2CCCCC2=C1O)NC3=C4C=CC(=CC4=NC=C3)Cl.OP(=O)(O)O.OP(=O)(O)O
InChI
InChI=1S/C24H28ClN3O.2H3O4P/c1-24(2,3)27-14-15-12-22(17-6-4-5-7-18(17)23(15)29)28-20-10-11-26-21-13-16(25)8-9-19(20)21;2*1-5(2,3)4/h8-13,27,29H,4-7,14H2,1-3H3,(H,26,28);2*(H3,1,2,3,4)
InChIKey
QTYPWHKJEDCDNH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Naphthoquine phosphate
CAS: 173531-58-3
CID: 9851774
Formula: C24H34ClN3O9P2
MW: 605.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight605.9
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Exact Mass605.1458814
Monoisotopic Mass605.1458814
Topological Polar Surface Area213 Ų
Heavy Atom Count39
Formal Charge0
Complexity588
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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