赛乐西帕中间体

• 常用名: 赛乐西帕中间体
• 英文名: MRE-269
• CAS号: 475085-57-5
• 分子量: 419.516
• 密度: 1.2±0.1 g/cm3
• 沸点: 602.1±55.0 °C at 760 mmHg
• 分子式: C₂₅H₂₉N₃O₃
• 熔点: N/A
• 闪点: 318.0±31.5 °C

赛乐西帕中间体用途

MRE-269 是 selexipag 的有效代谢物,同时为选择性的 IP 受体激动剂。

赛乐西帕中间体名称

• 中文名: 赛乐西帕中间体
• 英文名: {4-[(5,6-Diphenyl-2-pyrazinyl)(isopropyl)amino]butoxy}acetic acid

赛乐西帕中间体生物活性

• 描述: MRE-269 是 selexipag 的有效代谢物,同时为选择性的 IP 受体激动剂。
• 相关类别:
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> 前列腺素受体
  研究领域 >> 心血管疾病
• 靶点实验:

  IP Receptor

• 体外研究: MRE-269诱导大鼠外叶肺动脉(EPA)的内皮依赖性血管舒张。 MRE-269或其他IP受体激动剂包括依前列醇,伊洛前列素,曲前列环素和贝前列素可增加hPASMC中的cAMP水平[1]。 MRE-269在LPA(+),LPA(-)和SPA(-)中诱导浓度依赖性血管舒张[3]。
• 体内研究: MRE-269对大鼠小叶内肺动脉(SIPA)和EPA的血管舒张作用相同,而其他IP受体激动剂在SIPA中诱导的血管舒张作用少于EPA [1]。 MRE-269可使大鼠小肺动脉显着松弛,但其效果仅在10μM以上的高浓度时才有效(pEC50,4.98±0.22)。相比之下,在大鼠小肺静脉中,MRE-269仅在整个浓度范围内产生最小的松弛,在10和100μM的两个最高剂量的MRE-269中仅发生显着的松弛[2]。
• 参考文献:

  [1]. Fuchikami C, et al. A comparison of vasodilation mode among selexipag (NS-304; [2-{4-[(5,6-diphenylpyrazin-2-yl)(isopropyl)amino]butoxy}-N-(methylsulfonyl)acetamide]), its active metabolite MRE-269 and various prostacyclin receptor agonists in rat, porcin

  [2]. Orie NN, et al. Differential actions of the prostacyclin analogues treprostinil and iloprost and the selexipag metabolite, MRE-269 (ACT-333679) in rat small pulmonary arteries and veins. Prostaglandins Other Lipid Mediat. 2013 Oct;106:1-7

  [3]. Kuwano K, et al. A long-acting and highly selective prostacyclin receptor agonist prodrug, 2-{4-[(5,6-diphenylpyrazin-2-yl)(isopropyl)amino]butoxy}-N-(methylsulfonyl)acetamide (NS-304), ameliorates rat pulmonary hypertension with unique relaxant responses

赛乐西帕中间体物理化学性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 602.1±55.0 °C at 760 mmHg
• 分子式: C₂₅H₂₉N₃O₃
• 分子量: 419.516
• 闪点: 318.0±31.5 °C
• 精确质量: 419.220886
• PSA: 75.55000
• LogP: 5.09
• InChIKey: OJQMKCBWYCWFPU-UHFFFAOYSA-N
• SMILES: CC(C)N(CCCCOCC(=O)O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1
• 蒸汽压: 0.0±1.8 mmHg at 25°C
• 折射率: 1.588
• 储存条件: 2-8℃

赛乐西帕中间体靶点实验

查看更多实验

实验名称：Compound was evaluated for inhibition of rat Gabra1 in an in vitro assay with cellula... 来源：ChEMBL 靶标：Gamma-aminobutyric acid receptor subunit alpha-1 External Id：CHEMBL5291801

实验名称：Thermal Shift Assay. Domain: start/stop: M1-L298 来源：ChEMBL 靶标：Cyclin-dependent kinase 2 External Id：CHEMBL5062802

实验名称：Binding affinity towards rat Gabra1 in an in vitro assay with cellular components mea... 来源：ChEMBL 靶标：Gamma-aminobutyric acid receptor subunit alpha-1 External Id：CHEMBL5291798

实验名称：Binding affinity towards human ESR1 in an in vitro cell free assay (NIBR assay) measu... 来源：ChEMBL 靶标：Estrogen receptor External Id：CHEMBL5291791

实验名称：Rat IP receptor (Prostanoid receptors) 来源：IUPHAR-DB 靶标：IP receptor (Prostanoid receptors) [Rattus norvegicus] External Id：345_Rat

实验名称：Human EP2 receptor (Prostanoid receptors) 来源：IUPHAR-DB 靶标：EP2 receptor (Prostanoid receptors) [Homo sapiens] External Id：341_Human

实验名称：Binding affinity towards human EDNRA in an in vitro assay with cellular components me... 来源：ChEMBL 靶标：Endothelin-1 receptor External Id：CHEMBL5291785

实验名称：Binding affinity towards human DRD2 in an in vitro assay with cellular components mea... 来源：ChEMBL 靶标：D(2) dopamine receptor External Id：CHEMBL5291781

实验名称：A screen for small molecules that modulate mitochondrial supercomplex formation 来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School 靶标：N/A External Id：HMS1482

实验名称：Agonist activity at human DRD1 in an in vitro cell-based assay measured by time-resol... 来源：ChEMBL 靶标：D(1A) dopamine receptor External Id：CHEMBL5291777

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赛乐西帕中间体英文别名

• MRE-269
• 2-[4-({[(3,5-DICHLOROPHENYL)AMINO]CARBONYL}AMINO)PHENOXY]-2-METHYLPROPANOIC ACID
• 2-(4-{[(3,5-dichlorophenyl)carbamoyl]amino}phenoxy)-2-methylpropanoic acid
• {4-[(5,6-diphenylpyrazin-2-yl)(propan-2-yl)amino]butoxy}acetic acid
• {4-[(5,6-diphenylpyrazin-2-yl)(isopropyl)amino]butoxy}acetic acid
• 4-(3,5-dichlorophenylureido)phenoxyisobutyric acid
• {4-[(5,6-Diphenyl-2-pyrazinyl)(isopropyl)amino]butoxy}acetic acid
• ACT-333679
• 2-<4<<<(3,5-dichlorophenyl)amino>carbonyl>amino>phenoxy>-2-methylpropionic acid
• 2-{4-[N'-(3,5-dichlorophenyl)ureido]phenoxy}isobutyric acid
• 2-{4-[N-(5,6-diphenylpyrazin-2-yl)-N-isopropylamino]butyloxy}acetic acid
• Propanoic acid,2-[4-[[[(3,5-dichlorophenyl)amino]carbonyl]amino]phenoxy]-2-methyl