A structure-activity relationship (SAR) study was performed principally at the N1 position of N1-arylsulfonyl-N2-[1-(1-naphthyl)ethyl]-trans-1,2-diaminocyclohexanes, a new family of calcilytics acting at the calcium sensing receptor (CaSR). The most active compound in this series was the 4-(trifluoromethoxy)benzenesulfonyl derivative 7e, which displayed an IC50 of 5.4 +/- 0.5 microM with respect to the inhibition of calcium-induced tritiated inositol phosphate ([3H]IP) accumulation in Chinese hamster ovarian (CHO) cells expressing the CaSR. Replacement of the sulfonamide linkage of this compound by a carboxamide led to a 6-fold increase in activity (7m, IC50 = 0.9 +/- 0.2 microM). Among the carboxamides synthesized, one of the most active compounds was the 4-chlorophenylcarboxamide (1S,2S,1'R)-7n (Calhex 231, IC50 = 0.33 +/- 0.02 microM). The absolute configuration of (1S,2S,1'R)-7n was deduced from an X-ray crystallographic study of one of the diastereomers of compound 7d. The stereochemical preference for the (1S,2S,1'R)-isomers can be rationalized on the basis of a three-dimensional model of the calcilytic binding pocket of the CaSR. Removal of the C-1' methyl group or replacement of the 1-naphthyl group by a 2-naphthyl or biphenyl moiety led to appreciable loss of calcilytic activity. Compounds 7e, 7m, and Calhex 231 did not stimulate [3H]IP accumulation in CHO cells expressing or not expressing the CaSR.

译文

:结构-活性关系(SAR)研究主要在N1-芳基磺酰基-N2- [1-(1-(萘基)乙基]-反式-1,2-二氨基环己烷的N1位置进行,钙敏感受体(CaSR)。该系列中活性最高的化合物是4-(三氟甲氧基)苯磺酰基衍生物7e,在抑制中国仓鼠中钙诱导的tri化肌醇磷酸酯([3H] IP)积累方面,其IC50为5.4 /-0.5 microM。表达CaSR的卵巢(CHO)细胞。该化合物的磺酰胺键被羧酰胺取代导致活性增加了6倍(7m,IC50 = 0.9 /-0.2 microM)。在合成的羧酰胺中,活性最高的化合物之一是4-氯苯基羧酰胺(1S,2S,1'R)-7n(Calhex 231,IC50 = 0.33 /-0.02 microM)。 (1S,2S,1'R)-7n的绝对构型是由化合物7d的一种非对映异构体的X射线晶体学研究得出的。 (1S,2S,1'R)异构体的立体化学偏好可以根据CaSR钙解结合口袋的三维模型来合理化。除去C-1'甲基或用2-萘基或联苯部分取代1-萘基导致明显的钙解活性损失。化合物7e,7m和Calhex 231不会刺激表达或不表达CaSR的CHO细胞中的[3H] IP积累。

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