Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Pemirolast
4H-Pyrido[1,2-a]pyrimidin-4-one,9-methyl-3-(2H-tetrazol-5-yl)- · Hsdb 7291 · Pemilaston · PEMIROLAST · Pemirolastum · Unii-2C09nv773m · Pemirolast [inn] · Pemiroplastpotassium
식별자 및 물리적 특성
| CAS No. | 100299-08-9 |
|---|---|
| 분자식 | C10H8N6O |
| 평균 분자량 | 228.21 g/mol |
| 단동위원소 질량 | 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 |
화학 및 물리적 성질
| XLogP | -0.3 |
|---|---|
| 극성 표면적 | 87.1 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 17 |
| 형식 전하 | 0 |
| 복잡도 | 489 |
| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
| LogP(분배 계수) | log Kow = 0.36 /Estimated/ |
| Color/Form | Crystals from dimethylformamide |
| 용해도 | In water, 1.9X10+4 mg/L at 25 °C /Estimated/4.62e-01 g/L |
| Human Drugs | Breast FeedingLactationMilk, HumanAnti-Allergic AgentsHistamine Antagonists |
| 녹는점 | 310-311 °C (decomposes)310-311° (dec) |
| 증기압 | 3.3X10-6 mm Hg at 25 °C /Estimated/ |
| 헨리 상수 | 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/ |
| 끓는 점 | 454.8±55.0 °C(Predicted) |
| 밀도 | 1+-.0.1 g/cm3(Predicted) |
| pKa(산도 계수) | 4.00±0.50(Predicted) |
안전 및 규제
| FDA 요건 | 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/ |
|---|---|
| 처리 방법 | 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. |
| 상호 작용 | 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//LABORATORY ANIMALS: Developmental or Reproductive Toxicity/ Pemirolast potassium caused an increased incidence of thymic remnant in the neck, interventricular septal defect, fetuses with wavy rib, splitting of thoracic vertebral body, and reduced numbers of ossified sternebrae, sacral and caudal vertebrae, and metatarsi when rats were given oral doses >/= 250 mg/kg during organogenesis. Increased incidence of dilation of renal pelvis/ureter in the fetuses and neonates was also noted when rats were given an oral dose of 400 mg/kg pemirolast potassium. /Pemirolast potassium//LABORATORY ANIMALS: Developmental or Reproductive Toxicity/ Pemirolast potassium produced increased pre- and post-implantation losses, reduced embryo/fetal and neonatal survival, decreased neonatal body weight, and delayed neonatal development in rats receiving an oral dose at 400 mg/kg. Pemirolast potassium also caused a reduction in the number of corpus lutea, the number of implantations, and number of live fetuses in the F1 generation in rats when F0 dams were given oral doses >/= 250 mg/kg during late gestation and the lactation period. /Pemirolast potassium//GENOTOXICITY/ Pemirolast potassium was not mutagenic or clastogenic when tested in a series of bacterial and mammalian tests for gene mutation and chromosomal injury in vitro nor was it clastogenic when tested in vivo in rats. /Pemirolast potassium//LABORATORY ANIMALS: Developmental or Reproductive Toxicity/ Pemirolast potassium had no effect on mating and fertility in rats at oral doses up to 250 mg/kg ... A reduced fertility and pregnancy index occurred in the F 1 generation when F 0 dams were treated with 400 mg/kg pemirolast potassium during late pregnancy and lactation period. /Pemirolast potassium/ |
| Effects During Pregnancy and Lactation | ◉ Summary of Use during Lactation |
| 유해 물질 데이터 | 69372-19-6(Hazardous Substances Data) |
용도
용도
Anti-allergic; inhibitor (mediator release).