Ji X, Kim Y C, Ahern D G, Linden J, Jacobson K A
Molecular Recognition Section, Laboratory of Bioorganic Chemistry, National Institute of Diabetes, Digestive and Kidney Diseases, National Institutes of Health, Bldg. 8A, Room B1A-19, Bethesda, MD 20892, USA.
Biochem Pharmacol. 2001 Mar 15;61(6):657-63. doi: 10.1016/s0006-2952(01)00531-7.
MRS 1754 [N-(4-cyanophenyl)-2-[4-(2,3,6,7-tetrahydro-2,6-dioxo-1,3-dipropyl-1H-purin-8-yl)-phenoxy]acetamide] is a selective antagonist ligand of A(2B) adenosine receptors. This is the least well-defined adenosine receptor subtype, and A(2B) antagonists have potential as antiasthmatic drugs. For use as a radioligand, MRS 1754, a p-cyanoanilide xanthine derivative, was tritiated on the propyl groups in a two-step reaction using a p-carboxamido precursor, which was dehydrated to the cyano species using trifluoroacetic anhydride. [3H]MRS 1754 (150 Ci/mmol) bound to recombinant human A(2B) adenosine receptors in membranes of stably transfected HEK-293 cells. Specific binding was saturable, competitive, and followed a one-site model, with a K(D) value of 1.13 +/- 0.12 nM and a B(max) value of 10.9 +/- 0.6 pmol/mg protein. Specific binding utilizing 0.7 nM [3H]MRS 1754 was > 70% of total binding. The affinity calculated from association and dissociation binding constants was 1.22 nM (N = 4). Binding to membranes expressing rat and human A(1) and A(3) adenosine receptors was not significant, and binding in membranes of HEK-293 cells expressing human A(2A) receptors was of low affinity (K(D) > 50 nM). The effects of cations and chelators were explored. Specific binding was constant over a pH range of 4.5 to 6.5, with reduced binding at higher pH. The pharmacological profile in competition experiments with [3H]MRS 1754 was consistent with the structure-activity relationship for agonists and antagonists at A(2B) receptors. The K(i) values of XAC (xanthine amine congener) and CPX (8-cyclopentyl-1,3-dipropylxanthine) were 16 and 55 nM, respectively. NECA (5'-N-ethylcarboxamidoadenosine) competed for [3H]MRS 1754 binding with a K(i) of 570 nM, similar to its potency in functional assays. Thus, [3H]MRS 1754 is suitable as a selective, high-affinity radioligand for A(2B) receptors.
MRS 1754 [N-(4-氰基苯基)-2-[4-(2,3,6,7-四氢-2,6-二氧代-1,3-二丙基-1H-嘌呤-8-基)-苯氧基]乙酰胺]是A(2B)腺苷受体的选择性拮抗剂配体。这是定义最不明确的腺苷受体亚型,且A(2B)拮抗剂有作为抗哮喘药物的潜力。作为放射性配体使用时,MRS 1754(一种对氰基苯胺黄嘌呤衍生物)在两步反应中通过使用对羧酰胺前体在丙基上进行氚标记,该前体使用三氟乙酸酐脱水成氰基化合物。[3H]MRS 1754(150 Ci/mmol)与稳定转染的HEK-293细胞膜中的重组人A(2B)腺苷受体结合。特异性结合具有饱和性、竞争性,并遵循单点模型,K(D)值为1.13±0.12 nM,B(max)值为10.9±0.6 pmol/mg蛋白质。利用0.7 nM [3H]MRS 1754的特异性结合占总结合的>70%。根据结合和解离结合常数计算的亲和力为1.22 nM(N = 4)。与表达大鼠和人A(1)及A(3)腺苷受体的膜的结合不显著,且在表达人A(2A)受体的HEK-293细胞膜中的结合亲和力较低(K(D)>50 nM)。研究了阳离子和螯合剂的影响。特异性结合在pH 4.5至6.5范围内保持恒定,在较高pH下结合减少。在与[3H]MRS 1754的竞争实验中的药理学特征与A(2B)受体激动剂和拮抗剂的构效关系一致。XAC(黄嘌呤胺类似物)和CPX(8-环戊基-1,3-二丙基黄嘌呤)的K(i)值分别为16和55 nM。NECA(5'-N-乙基羧酰胺腺苷)以570 nM的K(i)竞争[3H]MRS 1754的结合,与其在功能测定中的效力相似。因此,[3H]MRS 1754适合作为A(2B)受体的选择性、高亲和力放射性配体。