3-[(2-环己基-2-羟乙基)氨基]-2,5-二氧代-1-(苯甲基)-4-咪唑啶庚酸

• 常用名: 3-[(2-环己基-2-羟乙基)氨基]-2,5-二氧代-1-(苯甲基)-4-咪唑啶庚酸
• 英文名: BW A868C
• CAS号: 118675-50-6
• 分子量: 459.578
• 密度: 1.2±0.1 g/cm3
• 沸点: 638.1±65.0 °C at 760 mmHg
• 分子式: C₂₅H₃₇N₃O₅
• 熔点: N/A
• 闪点: 339.7±34.3 °C

用途

BW A868C是乙内酰脲化合物,是BW245C结构类似物。BW A868C是一种选择性和有效的竞争性前列腺素D2(PGD2)拮抗剂。BW A868C对其他前列腺素受体(IP、EP1、EP2、TP和FP)没有影响[1]。

名称

• 中文名: 3-[(2-环己基-2-羟乙基)氨基]-2,5-二氧代-1-(苯甲基)-4-咪唑啶庚酸
• 英文名: 7-[1-benzyl-3-[(2-cyclohexyl-2-hydroxyethyl)amino]-2,5-dioxoimidazolidin-4-yl]heptanoic acid

生物活性

• 描述: BW A868C是乙内酰脲化合物,是BW245C结构类似物。BW A868C是一种选择性和有效的竞争性前列腺素D2(PGD2)拮抗剂。BW A868C对其他前列腺素受体(IP、EP1、EP2、TP和FP)没有影响[1]。
• 相关类别:
  研究领域 >> 心血管疾病
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> 前列腺素受体
• 靶点实验:

  PGD2

• 体外研究: BW A868C拮抗前苷元D2和BW245C诱导的人血小板腺苷酸环化酶激活[1]。
• 参考文献:

  [1]. H Giles, et al. The classification of prostaglandin DP-receptors in platelets and vasculature using BW A868C, a novel, selective and potent competitive antagonist. Br J Pharmacol. 1989 Feb;96(2):291-300.

物理化学性质

• 密度: 1.2±0.1 g/cm3
• 沸点: 638.1±65.0 °C at 760 mmHg
• 分子式: C₂₅H₃₇N₃O₅
• 分子量: 459.578
• 闪点: 339.7±34.3 °C
• 精确质量: 459.273315
• PSA: 110.18000
• LogP: 3.31
• InChIKey: YZJVWSKJHGEIBL-UHFFFAOYSA-N
• SMILES: O=C(O)CCCCCCC1C(=O)N(Cc2ccccc2)C(=O)N1NCC(O)C1CCCCC1
• 蒸汽压: 0.0±2.0 mmHg at 25°C
• 折射率: 1.593

安全信息

• 个人防护装备: Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
• 危险品运输编码: NONH for all modes of transport
• WGK德国: 3

靶点实验

查看更多实验

实验名称：Discovery of Small Molecules to Inhibit Human Cytomegalovirus Nuclear Egress 来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School 靶标：HCMV UL50 External Id：HMS1262

实验名称：Mouse DP1 receptor (Prostanoid receptors) 来源：IUPHAR-DB 靶标：DP1 receptor (Prostanoid receptors) [Mus musculus] External Id：338_Mouse

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：Human DP1 receptor (Prostanoid receptors) 来源：IUPHAR-DB 靶标：DP1 receptor (Prostanoid receptors) [Homo sapiens] External Id：338_Human

实验名称：Cell-based high throughput primary assay to identify activators of GPR151 来源：The Scripps Research Institute Molecular Screening Center 靶标：RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL External Id：GPR151_PHUNTER_AG_LUMI_1536_1X%ACT

实验名称：AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of... 来源：The Scripps Research Institute Molecular Screening Center External Id：MITF_INH_Alpha_1536_1X%INH PRUN

实验名称：Stabilization of p53 in human papillomavirus-positive cells 来源：ICCB-Longwood/NSRB Screening Facility, Harvard Medical School 靶标：Cellular tumor antigen p53 External Id：HMS1485

实验名称：Discovering small molecule activators of G protein-gated inwardly-rectifying potassiu... 来源：15621 靶标：G protein-activated inward rectifier potassium channel 2 External Id：VANDERBILT_HTS_GIRK2_MPD

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英文别名

• BW A868C
• 3-[(2-Cyclohexyl-2-hydroxyethyl)amino]-2,5-dioxo-1-(phenylmethyl)- 4-imidazolidineheptanoic acid
• 7-{1-Benzyl-3-[(2-cyclohexyl-2-hydroxyethyl)amino]-2,5-dioxo-4-imidazolidinyl}heptanoic acid
• 7-{1-Benzyl-3-[(2-cyclohexyl-2-hydroxyethyl)amino]-2,5-dioxoimidazolidin-4-yl}heptanoic acid