CID 2745687

• 常用名: CID 2745687
• 英文名: CID 2745687
• CAS号: 264233-05-8
• 分子量: 395.427
• 密度: 1.3±0.1 g/cm3
• 沸点: 493.6±55.0 °C at 760 mmHg
• 分子式: C₁₇H₁₉F₂N₅O₂S
• 熔点: N/A
• 闪点: 252.3±31.5 °C

CID 2745687用途

CID 2745687是一种特异、可逆和竞争性的GPR35拮抗剂,Ki为12.8 nM[1]。

CID 2745687名称

• 英文名: Methyl 1-(2,4-difluorophenyl)-5-[(E)-{[(2-methyl-2-propanyl)carba mothioyl]hydrazono}methyl]-1H-pyrazole-4-carboxylate

CID 2745687生物活性

• 描述: CID 2745687是一种特异、可逆和竞争性的GPR35拮抗剂,Ki为12.8 nM[1]。
• 相关类别:
  研究领域 >> 心血管疾病
  信号通路 >> 其他 >> 其他
  研究领域 >> 炎症/免疫
• 体外研究: 对于以1μM帕莫酸为激动剂的ERK1/2磷酸化,CID 2745687(CID2745687)Ki为18 nM[1]。CID 2745687(CID-2745687)仅在人类GPR35的β-阻遏蛋白-2相互作用试验中是一种有效的拮抗剂[2]。使用基于BRET的GPR35-β-arrestin-2相互作用分析和EC80浓度的扎普利那司(20μM)作为激动剂,CID 2745687在人类GPR35上表现为中等效力的浓度依赖性拮抗剂,pIC50=6.70±0.09[2]。CID 2745687(pIC50=6.27±0.08)完全逆转了色甘酸二钠的激动作用[2]。
• 体内研究: 特异性GPR35拮抗剂CID 2745687(CID2745687；1 mg/kg；过去4周每天口服)逆转洛多酰胺介导的抗纤维化作用[3]。动物模型：6周龄雄性C57BL/6小鼠[3]剂量：1mg/kg给药：口服给药,每天一次,连续4周结果：抑制洛多沙胺介导的保护作用。
• 参考文献:

  [1]. Pingwei Zhao, et al. Targeting of the orphan receptor GPR35 by pamoic acid: a potent activator of extracellular signal-regulated kinase and β-arrestin2 with antinociceptive activity. Mol Pharmacol. 2010 Oct;78(4):560-8.

  [2]. Laura Jenkins, et al. Antagonists of GPR35 display high species ortholog selectivity and varying modes of action. J Pharmacol Exp Ther. 2012 Dec;343(3):683-95.

  [3]. Mi-Jeong Kim, et al. Lodoxamide Attenuates Hepatic Fibrosis in Mice: Involvement of GPR35. Biomol Ther (Seoul). 2019 Jun 13;28(1):92-97.

CID 2745687物理化学性质

• 密度: 1.3±0.1 g/cm3
• 沸点: 493.6±55.0 °C at 760 mmHg
• 分子式: C₁₇H₁₉F₂N₅O₂S
• 分子量: 395.427
• 闪点: 252.3±31.5 °C
• 精确质量: 395.122742
• PSA: 119.67000
• LogP: 3.05
• InChIKey: CYNLZIBKERMMOA-AWQFTUOYSA-N
• SMILES: COC(=O)c1cnn(-c2ccc(F)cc2F)c1C=NNC(=S)NC(C)(C)C
• 蒸汽压: 0.0±1.3 mmHg at 25°C
• 折射率: 1.591
• 储存条件: -20°C，干燥，密封

CID 2745687安全信息

• 危害码 (欧洲): Xi

CID 2745687靶点实验

查看更多实验

实验名称：Primary cell-based high-throughput screening assay for identification of compounds th... 来源：Johns Hopkins Ion Channel Center 靶标：regulator of G-protein signaling 4 isoform 2 [Homo sapiens] External Id：JHICC_RGS_Act_HTS

实验名称：Luminescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：mu-type opioid receptor isoform MOR-1 [Homo sapiens] External Id：OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN

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：Fluorescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：muscarinic acetylcholine receptor M1 [Homo sapiens] External Id：CHRM1_AG_FLUO8_1536_1X%ACT PRUN

实验名称：uHTS identification of small molecule activators of the adaptive arm of the Unfolded ... 来源：Burnham Center for Chemical Genomics 靶标：N/A External Id：BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay

实验名称：High throughput fluorescence intensity-based biochemical assay to screen for small mo... 来源：University of Pittsburgh Molecular Library Screening Center 靶标：furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens] External Id：MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.

实验名称：Fluorescence polarization to screen for inhibitor that competite the binding of FadD2... 来源：Broad Institute 靶标：FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE) External Id：2147-01_Inhibitor_SinglePoint_HTS_Activity

实验名称：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect... 来源：Broad Institute 靶标：N/A External Id：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity

实验名称：Dicer-mediated maturation of pre-microRNA 来源：Center for Chemical Genomics, University of Michigan 靶标：N/A External Id：TargetID_659_CEMA

实验名称：Fluorescence-based cell-based primary high throughput screening assay to identify pos... 来源：The Scripps Research Institute Molecular Screening Center 靶标：muscarinic acetylcholine receptor M1 [Homo sapiens] External Id：CHRM1_PAM_FLUO8_1536_1X%ACT PRUN

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CID 2745687英文别名

• 1H-Pyrazole-4-carboxylic acid, 1-(2,4-difluorophenyl)-5-[(E)-[2-[[(1,1-dimethylethyl)amino]thioxomethyl]hydrazinylidene]methyl]-, methyl ester
• ASTA 3746
• Ciclonium bromide
• Methyl 1-(2,4-difluorophenyl)-5-[(E)-{[(2-methyl-2-propanyl)carbamothioyl]hydrazono}methyl]-1H-pyrazole-4-carboxylate
• Cicloniumbromid