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Pemirolast potassium - 10mM in Water, high purity , CAS No.100299-08-9
Basic Description
Synonyms
PEMIROLAST POTASSIUM | 100299-08-9 | Pemilaston | Alamast | Pemirolast potassium salt | Alegysal | BMY 26517 | BMY-26517 | CCRIS 3562 | UNII-497A17OUUE | Permirolast potassium | 497A17OUUE | DTXSID7046623 | TWT-8152 | TBX | DTXCID5026623 | 100299-08-9 (potassium) | 9-Methyl-3-(1H-tetrazol
Specifications & Purity
10mM in Water
Biochemical and Physiological Mechanisms
Inhibitor of chemical mediator release from tissue mast cells.
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
An inhibitor of mast cell mediator release
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyridopyrimidines
Alternative Parents
Pyrimidones Methylpyridines Tetrazoles Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic zwitterions Organic potassium salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyridopyrimidine - Methylpyridine - Pyrimidone - Pyridine - Pyrimidine - Azole - Heteroaromatic compound - Tetrazole - Lactam - Azacycle - Organic alkali metal salt - Organic nitrogen compound - Organic zwitterion - Organic salt - Organic potassium salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. Pyridine is 6-membered ring consisting of five carbon atoms and a nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
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
potassium;9-methyl-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrido[1,2-a]pyrimidin-4-one
INCHI
InChI=1S/C10H7N6O.K/c1-6-3-2-4-16-9(6)11-5-7(10(16)17)8-12-14-15-13-8;/h2-5H,1H3;/q-1;+1
InChIKey
NMMVKSMGBDRONO-UHFFFAOYSA-N
Smiles
CC1=CC=CN2C1=NC=C(C2=O)C3=NN=N[N-]3.[K+]
Isomeric SMILES
CC1=CC=CN2C1=NC=C(C2=O)C3=NN=N[N-]3.[K+]
WGK Germany
3
Alternate CAS
69372-19-6
Molecular Weight
266.3
Reaxy-Rn
8097604
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8097604&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Sensitive to light and heat
Melt Point(°C)
317℃
Molecular Weight
266.300 g/mol
XLogP3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
1
Exact Mass
266.032 Da
Monoisotopic Mass
266.032 Da
Topological Polar Surface Area
72.300 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
495.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
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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