CYM50308

• 常用名: CYM50308
• 英文名: CYM 50308
• CAS号: 1345858-76-5
• 分子量: 405.461
• 密度: 1.3±0.1 g/cm3
• 沸点: 504.0±60.0 °C at 760 mmHg
• 分子式: C₂₀H₂₁F₂N₃O₂S
• 熔点: N/A
• 闪点: 258.6±32.9 °C

CYM50308用途

CYM50308 是一种有效的,选择性和高亲和力的鞘氨醇-1-磷酸受体 4 (S1P4-R) 激动剂,EC50 为 56 nM。CYM50308 对 S1P4-R 的选择性比 S1P5-R (EC50 of 2100 nM) 高 37 倍。在浓度高达 25 μM 时,CYM50308 对 S1P1-R,S1P2-R 和 S1P3-R 没有活性。

CYM50308名称

• 英文名: (2Z,5Z)-5-{[1-(2,4-Difluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]me thylene}-2-[(2-methoxyethyl)imino]-3-methyl-1,3-thiazolidin-4-one

CYM50308生物活性

• 描述: CYM50308 是一种有效的,选择性和高亲和力的鞘氨醇-1-磷酸受体 4 (S1P4-R) 激动剂,EC50 为 56 nM。CYM50308 对 S1P4-R 的选择性比 S1P5-R (EC50 of 2100 nM) 高 37 倍。在浓度高达 25 μM 时,CYM50308 对 S1P1-R,S1P2-R 和 S1P3-R 没有活性。
• 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 >> LPL受体
• 靶点实验:

  EC50: 56 nM (S1P4-R), 2100 nM (S1P5-R)[1]

• 体外研究: 所公开的铅分子CYM50308(化合物24f)显示出较其他S1P-Rs亚型低的纳米摩尔S1P4-R激动剂活性和精细的选择性。值得注意的是,CYM50308为探索S1P4-R信号级联效应和阐明体内受体功能的分子基础提供了有价值的药理学工具[1]。
• 参考文献:

  [1]. Urbano M, et al. Discovery, synthesis and SAR analysis of novel selective small molecule S1P4-R agonists based on a (2Z,5Z)-5-((pyrrol-3-yl)methylene)-3-alkyl-2-(alkylimino)thiazolidin-4-one chemotype. Bioorg Med Chem Lett. 2011 Nov 15;21(22):6739-45.

CYM50308物理化学性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 504.0±60.0 °C at 760 mmHg
• 分子式: C₂₀H₂₁F₂N₃O₂S
• 分子量: 405.461
• 闪点: 258.6±32.9 °C
• 精确质量: 405.132263
• PSA: 72.13000
• LogP: 3.29
• InChIKey: BKQZKTRCUAWRHT-ONBPWHQPSA-N
• SMILES: COCCN=C1SC(=Cc2cc(C)n(-c3ccc(F)cc3F)c2C)C(=O)N1C
• 蒸汽压: 0.0±1.3 mmHg at 25°C
• 折射率: 1.594
• 储存条件: -20°C， 密封， 干燥

CYM50308靶点实验

查看更多实验

实验名称：Agonist activity at S1P2 receptor at 25 uM 来源：ChEMBL 靶标：Sphingosine 1-phosphate receptor 2 External Id：CHEMBL1913368

实验名称：Fluorescence-based biochemical high throughput primary assay to identify inhibitors o... 来源：The Scripps Research Institute Molecular Screening Center 靶标：Trypanosoma brucei RNA editing ligase 1 External Id：TBREL1_INH_FRET_1536_1X%INH PRUN

实验名称：Agonist activity at S1P1 receptor at 25 uM 来源：ChEMBL 靶标：Sphingosine 1-phosphate receptor 1 External Id：CHEMBL1913367

实验名称：QFRET-based biochemical primary high throughput screening assay to identify exosite i... 来源：The Scripps Research Institute Molecular Screening Center 靶标：disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens] External Id：ADAM17_INH_QFRET_1536_1X%INH PRUN

实验名称：Luminescence-based cell-based primary high throughput screening assay to identify act... 来源：The Scripps Research Institute Molecular Screening Center 靶标：TTR [Homo sapiens] External Id：TTR_ACT_LUMI_1536_1X%ACT PRUN

实验名称：Counterscreen for inhibitors of 5-meCpG-binding domain protein 2 (MBD2): TRFRET-based... 来源：The Scripps Research Institute Molecular Screening Center 靶标：E3 ubiquitin-protein ligase UHRF1 isoform 1 [Homo sapiens] External Id：UHRF1-CPGDNA_INH_TRFRET_1536_1X%INH CSRUN for MBD2-CPGDNA INH

实验名称：Selectivity ratio of EC50 for S1P5 receptor to EC50 for S1P4 receptor in human UOS2 c... 来源：ChEMBL 靶标：N/A External Id：CHEMBL1912144

实验名称：Agonist activity at S1P3 receptor at 25 uM 来源：ChEMBL 靶标：Sphingosine 1-phosphate receptor 3 External Id：CHEMBL1913369

实验名称：uHTS identification of small molecule modulators of Rev-erb Alpha. 来源：Burnham Center for Chemical Genomics 靶标：N/A External Id：SBCCG-A1016-RevErbaLBD-Primary-Assay

实验名称：Fluorescence-based biochemical high throughput primary assay to identify inhibitors o... 来源：The Scripps Research Institute Molecular Screening Center 靶标：Phospholipase C, beta 3 (phosphatidylinositol-specific) [Homo sapiens] External Id：PLCB3_INH_QFRET_1536_1X%INH PRUN

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CYM50308英文别名

• SIB 1553A hydrochloride
• (2Z,5Z)-5-{[1-(2,4-Difluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylene}-2-[(2-methoxyethyl)imino]-3-methyl-1,3-thiazolidin-4-one