ペミロラスト

9-メチル-3-(1H-テトラゾール-5-イル)-4H-ピリド[1,2-a]ピリミジン-4-オン · ペミロラスト · 9-メチル-3-(1H-1,2,3,4-テトラゾール-5-イル)-4H-ピリド[1,2-a]ピリミジン-4-オン · 4H-Pyrido[1,2-a]pyrimidin-4-one,9-methyl-3-(2H-tetrazol-5-yl)- · Hsdb 7291 · Pemilaston · PEMIROLAST · Pemirolastum

https://huagongshe.com/ja/chemical/57697

識別子と物理属性

CAS No.	100299-08-9
分子式	C10H8N6O
平均分子量	228.21 g/mol
単同位体質量	228.07595888 g/mol
SMILES	Cc1cccn2c(=O)c(-c3nn[nH]n3)cnc12
InChIKey	HIANJWSAHKJQTH-UHFFFAOYSA-N
PubChem CID	57697
ChEMBL	CHEMBL1201198
ChEBI	CHEBI:134936
DTXSID	DTXSID1048338
現地名	ペミロラスト

化学・物理的性質

XLogP	-0.3
極性表面積	87.1
水素結合供与体数	1
水素結合受容体数	5
回転可能結合数	1
重原子数	17
形式電荷	0
複雑度	489
医薬品	Pharmaceuticals -> Listed in ZINC15
LogP（分配係数）	log Kow = 0.36 /Estimated/
Color/Form	Crystals from dimethylformamide
溶解度	In water, 1.9X10+4 mg/L at 25 °C /Estimated/4.62e-01 g/L
Human Drugs	Breast FeedingLactationMilk, HumanAnti-Allergic AgentsHistamine Antagonists
融点	310-311 °C (decomposes)310-311° (dec)
蒸気圧	3.3X10-6 mm Hg at 25 °C /Estimated/
ヘンリー定数	Henry's Law constant = 4.9X10-11 atm-cu m/mole at 25 °C /Estimated/
Physical Description	Solid
Other Experimental Properties	Hydroxyl radical reaction rate constant = 3.0X10-11 cu cm/molecule-sec at 25 °C /Estimated/Mol wt 266.30. Yellowish-white crytsalline powder. Highly soluble in water /Potassium salt/
沸点	454.8±55.0 °C(Predicted)
密度	1+-.0.1 g/cm3(Predicted)
pKa（酸解離定数）	4.00±0.50(Predicted)
CAS データベース	69372-19-6(CAS DataBase Reference)

安全性と法規制

FDA 要件	The Approved Drug Products with Therapeutic Equivalence Evaluations List identifies currently marketed prescription drug products, incl pemirolast potassium, approved on the basis of safety and effectiveness by FDA under sections 505 of the Federal Food, Drug, and Cosmetic Act. /Pemirolast Potassium/
処分方法	SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in soil or watereffects on animal, aquatic, and plant lifeand conformance with environmental and public health regulations.
相互作用	The effect of a newly developed anti-allergic drug, pemirolast potassium (TBX), on the pharmacokinetics and metabolism of theophylline was investigated under steady-state conditions in seven healthy male volunteers. A sustained-release theophylline formulation (100 mg twice daily at 12 h intervals) was given as monotherapy and coadministered with TBX (10 mg twice daily at 12 h). Plasma concentration-time curves and the urinary excretion of theophylline and its major metabolites after administration of theophylline alone and after coadministration with TBX were compared. No significant adverse effects from this study were observed. There were no significant differences in the total body clearance, renal clearance and maximum concentration of theophylline between the two treatments, although coadministration of TBX significantly delayed the time to reach maximum concentration of theophylline. In the case of urinary excretion, no significant changes in the fraction of urinary excretion of theophylline and its metabolites were observed. These results indicate that TBX has little or no effect on the pharmacokinetics and metabolism of theophylline and suggest that TBX is safe for asthma patients receiving theophylline therapy for treatment of chronic obstructive airway diseases.
Milk Concentrations	Pemirolast potassium is excreted in the milk of lactating rats at concentrations higher than those in plasma. It is not known whether pemirolast potassium is excreted in human milk. /Pemirolast potassium/
Non-Human Toxicity Excerpts	/LABORATORY ANIMALS: Developmental or Reproductive Toxicity/ Pemirolast potassium was not teratogenic in rabbits given oral doses up to 150 mg/kg ... /Pemirolast potassium/

用途

使用

Anti-allergic; inhibitor (mediator release).