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Primaquine bisphosphate - 10mM in DMSO, high purity , CAS No.63-45-6
Cas Number: 63-45-6
Molecular Weight: 455.34
PubChem CID:
6135
Basic Description
Synonyms
primaquine diphosphate | 63-45-6 | PRIMAQUINE PHOSPHATE | Primaquine bisphosphate | Primaquine (Diphosphate) | Malquine | CCRIS 1946 | 1,4-Pentanediamine, N4-(6-methoxy-8-quinolinyl)-, phosphate (1:2) | EINECS 200-560-8 | NSC 149765 | UNII-H0982HF78B | CAMDEN | DTXSID6045248 | H09
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
Antimalarial drug with genotoxicity and cardiotoxicity properties. Displays rapid and potent gametocytocidal activity.
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
Product Application:
Primaquine bisphosphate was used in the colorimetric microplate-based, room temperature assay to determine the urea synthesis in cell culture. It was also used in the preparation of primaquine, an established antiplasmodial drug.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Aminoquinolines and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Aminoquinolines and derivatives
Alternative Parents
Methoxyanilines Anisoles Secondary alkylarylamines Alkyl aryl ethers Pyridines and derivatives Organic phosphoric acids and derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aminoquinoline - Methoxyaniline - Anisole - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Organic phosphoric acid derivative - Pyridine - Benzenoid - Heteroaromatic compound - Ether - Azacycle - Secondary amine - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Primary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aminoquinolines and derivatives. These are organic compounds containing an amino group attached to 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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;phosphoric acid
INCHI
InChI=1S/C15H21N3O.2H3O4P/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14;2*1-5(2,3)4/h4,6,8-11,18H,3,5,7,16H2,1-2H3;2*(H3,1,2,3,4)
InChIKey
GJOHLWZHWQUKAU-UHFFFAOYSA-N
Smiles
CC(CCCN)NC1=C2C(=CC(=C1)OC)C=CC=N2.OP(=O)(O)O.OP(=O)(O)O
Isomeric SMILES
CC(CCCN)NC1=C2C(=CC(=C1)OC)C=CC=N2.OP(=O)(O)O.OP(=O)(O)O
PubChem CID
6135
Molecular Weight
455.34
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
205-206 °C (dec.) (lit.)
Molecular Weight
455.340 g/mol
XLogP3
Hydrogen Bond Donor Count
8
Hydrogen Bond Acceptor Count
12
Rotatable Bond Count
6
Exact Mass
455.122 Da
Monoisotopic Mass
455.122 Da
Topological Polar Surface Area
216.000 Ų
Heavy Atom Count
29
Formal Charge
0
Complexity
312.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
3
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