Pemirolast potassium - ≥99% , CAS No.100299-08-9

CAS: 100299-08-9 Cat. No.: P129261 Molecular Weight: 266.3 EC Number: 694-774-2

GRADE & PURITY ≥99%

Synonyms

AC-22387 | Alegysal (TN) | PEMIROLAST POTASSIUM [JAN] | 4H-Pyrido(1,2-a)pyrimidin-4-one, 9-methyl-3-(1H-tetrazol-5-yl)-, potassium salt | AKOS005070307 | FT-0631005 | potassium;9-methyl-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrido[1,2-a]pyrimi

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Overview

Pemirolast Potassium is the potassium salt form of pemirolast, a pyrimidinone derivative with antiallergic property. Pemirolast potassium exerts its action by blocking the antigen-mediated calcium ion influx into mast cells.

Specifications

Synonyms

AC-22387 | Alegysal (TN) | PEMIROLAST POTASSIUM [JAN] | 4H-Pyrido(1, 2-a)pyrimidin-4-one, 9-methyl-3-(1H-tetrazol-5-yl)-, potassium salt | AKOS005070307 | FT-0631005 | potassium;9-methyl-3-(1, 2, 3-triaza-4-azanidacyclopenta-2, 5-dien-5-yl)pyrido[1, 2-a]pyrimi

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Inhibitor of chemical mediator release from tissue mast cells.

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 488189815
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189815
• Canonical Smiles: CC1=CC=CN2C1=NC=C(C2=O)C3=NN=N[N-]3.[K+]
• IUPAC Name: potassium;9-methyl-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrido[1,2-a]pyrimidin-4-one
• InChIKey: NMMVKSMGBDRONO-UHFFFAOYSA-N
• 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
• 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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridopyrimidines

• 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)

Discover Target: ABCC2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ABCB11 Tchem Bile salt export pump (2311 Activities)

Discover Target: ABCB11

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ABCC3 Tbio Canalicular multispecific organic anion transporter 2 (718 Activities)

Discover Target: ABCC3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ABCC4 Tchem Multidrug resistance-associated protein 4 (785 Activities)

Discover Target: ABCC4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in methanol, water (53 mg/ml at 25 °C), DMSO (<1 mg/ml at 25 °C), and ethanol (<1 mg/ml at 25 °C).
• Sensitivity: light & heat & moisture sensitive
• Melt Point(°C): 317℃
• Molecular Weight: 266.300 g/mol
• 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

XLogP3