UK-432097

• 常用名: UK-432097
• 英文名: UK-432097
• CAS号: 380221-63-6
• 分子量: 777.87
• 密度: N/A
• 沸点: N/A
• 分子式: C₄₀H₄₇N₁₁O₆
• 熔点: N/A
• 闪点: N/A

UK-432097用途

UK-432097是一种高效、选择性A2AAR激动剂,对人类A2AAR的pKi为8.4。UK-432097具有抗炎和抗聚集特性。UK-432097具有COPD(慢性阻塞性肺疾病)研究的潜力[1][2][3]。

UK-432097名称

• 英文名: 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxyoxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide

UK-432097生物活性

• 描述: UK-432097是一种高效、选择性A2AAR激动剂,对人类A2AAR的pKi为8.4。UK-432097具有抗炎和抗聚集特性。UK-432097具有COPD(慢性阻塞性肺疾病)研究的潜力[1][2][3]。
• 相关类别:
  研究领域 >> 炎症/免疫
  信号通路 >> G 蛋白偶联受体/G 蛋白 >> 腺苷受体
• 靶点实验:

  pKi: 8.4 (A2AAR)[1]

• 体外研究: 使用表达人WT A50AR的CHO细胞,UK-432097的EC50值为0.66 nM[1]。UK-432097(0.01,0.1,1,10,100,1000 nM；预处理2小时)显著增加CHO-A2A细胞中的cAMP积累[3]。
• 参考文献:

  [1]. Fei Xu, et al. Structure of an agonist-bound human A2A adenosine receptor. Science. 2011 Apr 15;332(6027):322-7.

  [2]. Kenneth A Jacobson, et al. Historical and Current Adenosine Receptor Agonists in Preclinical and Clinical Development. Front Cell Neurosci. 2019 Mar 28;13:124.

  [3]. J Daniel Hothersall, et al. Structure-Activity Relationships of the Sustained Effects of Adenosine A2A Receptor Agonists Driven by Slow Dissociation Kinetics. Mol Pharmacol. 2017 Jan;91(1):25-38.

UK-432097物理化学性质

• 分子式: C₄₀H₄₇N₁₁O₆
• 分子量: 777.87
• 精确质量: 777.37100
• PSA: 227.76000
• LogP: 3.88310
• InChIKey: ZOTHAEBAWXWVID-HXEFRTELSA-N
• SMILES: CCNC(=O)C1OC(n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)NCCNC(=O)NC4CCN(c5ccccn5)CC4)nc32)C(O)C1O

UK-432097靶点实验

查看更多实验

实验名称：Lipophilicity, log D at pH 7.4 来源：ChEMBL 靶标：N/A External Id：CHEMBL1110933

实验名称：Binding affinity to A2A adenosine receptor 来源：ChEMBL 靶标：Adenosine receptor A2a External Id：CHEMBL1955226

实验名称：Unbound clearance in rat at 1 mg/kg, iv 来源：ChEMBL 靶标：Rattus norvegicus External Id：CHEMBL1110932

实验名称：Experimentally measured binding affinity data (Ki) for protein-ligand complexes deriv... 来源：Shanghai Institute of Organic Chemistry 靶标：N/A External Id：PDBbind-Ki for protein-ligand complexes

实验名称：Intrinsic clearance in human liver microsomes 来源：ChEMBL 靶标：Liver microsomes External Id：CHEMBL1110931

实验名称：Human A2A receptor (Adenosine receptors) 来源：IUPHAR-DB 靶标：A2A receptor (Adenosine receptors) [Homo sapiens] External Id：19_Human

实验名称：Binding affinity to human adenosine A2A receptor 来源：ChEMBL 靶标：Adenosine receptor A2a External Id：CHEMBL3419481

实验名称：Inhibition of capsaicin-induced bronchoconstriction in guinea pig at 10 ug up to 8 hr... 来源：ChEMBL 靶标：Cavia porcellus External Id：CHEMBL1111842

实验名称：Toxicity in human assessed as increase of sitting blood pressure at 200 to 1600 ug ad... 来源：ChEMBL 靶标：Homo sapiens External Id：CHEMBL1111841

实验名称：Half life in human at 100 to 1600 ug administered by aerosol device 来源：ChEMBL 靶标：Homo sapiens External Id：CHEMBL1110942

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UK-432097英文别名

• 3qak
• 6-[(2,2-Diphenylethyl)amino]-9-{(2R,3R,4S,5S)-5-[(ethylamino)carbonyl]-3,4-dihydroxytetrahydro-2-furanyl}-N-(2-[({[1-(2-pyridinyl)-4-piperidinyl]amino}carbonyl)amino]ethyl)-9H-purine-2-carboxamide
• UNII-8L3OAJ1R5A
• UK-432,097
• 6-(2,2-Diphenylethylamino)-9-[(2r,3r,4s,5s)-5-(Ethylcarbamoyl)-3,4-Dihydroxy-Oxolan-2-Yl]-N-[2-[(1-Pyridin-2-Ylpiperidin-4-Yl)carbamoylamino]ethyl]purine-2-Carboxamide