O3-ethyl O5-(phenylmethyl) 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate (BioDeep_00000841912)

   


代谢物信息卡片


O3-ethyl O5-(phenylmethyl) 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate

化学式: C31H27NO4 (477.19399820000007)
中文名称:
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CCOC(=O)C1=C(NC(=C(C1C#CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)C
InChI: InChI=1S/C31H27NO4/c1-3-35-30(33)27-22(2)32-29(25-17-11-6-12-18-25)28(26(27)20-19-23-13-7-4-8-14-23)31(34)36-21-24-15-9-5-10-16-24/h4-18,26,32H,3,21H2,1-2H3

描述信息

MRS-1191 is a potent and selective A3 adenosine receptor antagonist with a KB value of 92 nM, a Ki value of 31.4 nM for human A3 receptor and an IC50 of 120 nM for CHO cells[1]. MRS-1191 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

同义名列表

2 个代谢物同义名

O3-ethyl O5-(phenylmethyl) 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate; MRS-1191



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文献列表

  • Elena Polycarpou, Lisiane B Meira, Simon Carrington, Elizabeth Tyrrell, Helmout Modjtahedi, Mark A Carew. Resveratrol 3-O-D-glucuronide and resveratrol 4'-O-D-glucuronide inhibit colon cancer cell growth: evidence for a role of A3 adenosine receptors, cyclin D1 depletion, and G1 cell cycle arrest. Molecular nutrition & food research. 2013 Oct; 57(10):1708-17. doi: 10.1002/mnfr.201200742. [PMID: 23650147]
  • S J Reshkin, L Guerra, A Bagorda, L Debellis, R Cardone, A H Li, K A Jacobson, V Casavola. Activation of A(3) adenosine receptor induces calcium entry and chloride secretion in A(6) cells. The Journal of membrane biology. 2000 Nov; 178(2):103-13. doi: 10.1007/s002320010018. [PMID: 11083899]
  • M S Mozaffari, W Abebe, B K Warren. Renal adenosine A3 receptors in the rat: assessment of functional role. Canadian journal of physiology and pharmacology. 2000 May; 78(5):428-32. doi: NULL. [PMID: 10841439]
  • J Jiang, A H Li, S Y Jang, L Chang, N Melman, S Moro, X Ji, E B Lobkovsky, J C Clardy, K A Jacobson. Chiral resolution and stereospecificity of 6-phenyl-4-phenylethynyl- 1,4-dihydropyridines as selective A(3) adenosine receptor antagonists. Journal of medicinal chemistry. 1999 Aug; 42(16):3055-65. doi: 10.1021/jm980688e. [PMID: 10447949]
  • A H Li, S Moro, N Forsyth, N Melman, X D Ji, K A Jacobson. Synthesis, CoMFA analysis, and receptor docking of 3,5-diacyl-2, 4-dialkylpyridine derivatives as selective A3 adenosine receptor antagonists. Journal of medicinal chemistry. 1999 Feb; 42(4):706-21. doi: 10.1021/jm980550w. [PMID: 10052977]
  • A H Li, S Moro, N Melman, X D Ji, K A Jacobson. Structure-activity relationships and molecular modeling of 3, 5-diacyl-2,4-dialkylpyridine derivatives as selective A3 adenosine receptor antagonists. Journal of medicinal chemistry. 1998 Aug; 41(17):3186-201. doi: 10.1021/jm980093j. [PMID: 9703464]
  • Y C Kim, M de Zwart, L Chang, S Moro, J K von Frijtag Drabbe Künzel, N Melman, A P IJzerman, K A Jacobson. Derivatives of the triazoloquinazoline adenosine antagonist (CGS 15943) having high potency at the human A2B and A3 receptor subtypes. Journal of medicinal chemistry. 1998 Jul; 41(15):2835-45. doi: 10.1021/jm980094b. [PMID: 9667972]
  • K A Jacobson, K S Park, J L Jiang, Y C Kim, M E Olah, G L Stiles, X D Ji. Pharmacological characterization of novel A3 adenosine receptor-selective antagonists. Neuropharmacology. 1997 Sep; 36(9):1157-65. doi: 10.1016/s0028-3908(97)00104-4. [PMID: 9364471]
  • J Jiang, A M van Rhee, L Chang, A Patchornik, X D Ji, P Evans, N Melman, K A Jacobson. Structure-activity relationships of 4-(phenylethynyl)-6-phenyl-1,4-dihydropyridines as highly selective A3 adenosine receptor antagonists. Journal of medicinal chemistry. 1997 Aug; 40(16):2596-608. doi: 10.1021/jm970091j. [PMID: 9258367]
  • J L Jiang, A M van Rhee, N Melman, X D Ji, K A Jacobson. 6-phenyl-1,4-dihydropyridine derivatives as potent and selective A3 adenosine receptor antagonists. Journal of medicinal chemistry. 1996 Nov; 39(23):4667-75. doi: 10.1021/jm960457c. [PMID: 8917655]