2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-[(4-nitrophenyl)methyl] ester (BioDeep_00000847374)

   


代谢物信息卡片


2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-[(4-nitrophenyl)methyl] ester

化学式: C31H26N2O6 (522.1790776)
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=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C
InChI: InChI=1S/C31H26N2O6/c1-3-38-30(34)27-21(2)32-29(24-12-8-5-9-13-24)28(26(27)19-16-22-10-6-4-7-11-22)31(35)39-20-23-14-17-25(18-15-23)33(36)37/h4-15,17-18,26,32H,3,20H2,1-2H3

描述信息

MRS1334 is a potent and selective human adenosine A3 receptor antagonist with Kis of 2.69 nM, >100 nM, >100 nM for hA3, rA1, rA2A, respectively. MRS1334 blocks the protective effect of Cl-IB-MECA leading to significant bradycardia and elevated ST segment[1][2]. MRS1334 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

2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-[(4-nitrophenyl)methyl] ester; MRS1334



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文献列表

  • 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]
  • 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]