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Xanthinol niacinate - 10mM in DMSO, high purity , CAS No.437-74-1
a useful vasodilator agent
Basic Description
Synonyms
Xanthinol nicotinate | XANTHINOL NIACINATE | 437-74-1 | Complamin | Xantinol nicotinate | Angioamin | Teonicol | Complamex | Landrina | Sadamine | Stenalgil | Xanidil | Vedrin | Complamin retard | Xavin | Xanthinol niacinate [USAN] | SK 331 A | Xantinol nicotinate [INN] | NSC-113217 | Xanthin
Specifications & Purity
10mM in DMSO
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
Xanthinol niacinate is a combination of xanthinol and niacin which acts as a vasodilator. Studies show that Xanthinol niacinate can modulate tumors during their reoxygenation. Xanthinol niacinate also displays anti-platelet and thrombolytic activity. In addition, this compound can reduce whole blood viscosity, as a result of its anti-platelet activity and decrease cholesterol and fibrinogen.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Imidazopyrimidines
Subclass
Purines and purine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Xanthines
Alternative Parents
6-oxopurines Alkaloids and derivatives Pyridinecarboxylic acids Pyrimidones N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Trialkylamines 1,2-aminoalcohols Lactams Ureas Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Xanthine - 6-oxopurine - Purinone - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Alkaloid or derivatives - Pyrimidone - N-substituted imidazole - Pyridine - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Urea - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - 1,2-aminoalcohol - Lactam - Alkanolamine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alcohol - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Amine - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
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
7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione;pyridine-3-carboxylic acid
INCHI
InChI=1S/C13H21N5O4.C6H5NO2/c1-15(4-5-19)6-9(20)7-18-8-14-11-10(18)12(21)17(3)13(22)16(11)2;8-6(9)5-2-1-3-7-4-5/h8-9,19-20H,4-7H2,1-3H3;1-4H,(H,8,9)
InChIKey
GEPMAHVDJHFBJI-UHFFFAOYSA-N
Smiles
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)CCO)O.C1=CC(=CN=C1)C(=O)O
Isomeric SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)CCO)O.C1=CC(=CN=C1)C(=O)O
RTECS
QT1500000
PubChem CID
9912
Molecular Weight
434.46
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
180-189° C
Molecular Weight
434.400 g/mol
XLogP3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
9
Rotatable Bond Count
7
Exact Mass
434.191 Da
Monoisotopic Mass
434.191 Da
Topological Polar Surface Area
152.000 Ų
Heavy Atom Count
31
Formal Charge
0
Complexity
548.000
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
2
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