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Structure-activity Relationships of 6-methyl-benzo[b]thiophene-2-carboxylic Acid (1-[(S)-1-benzyl-4-[4-(tetrahydropyran-4-ylmethyl)piperazin-1-yl]butylcarbamoyl]cyclopentyl)amide, Potent Antagonist of the neurokinin-2 Receptor

Structure-activity Relationships of 6-methyl-benzo[b]thiophene-2-carboxylic Acid (1-[(S)-1-benzyl-4-[4-(tetrahydropyran-4-ylmethyl)piperazin-1-yl]butylcarbamoyl]cyclopentyl)amide, Potent Antagonist of the neurokinin-2 Receptor

Daniela Fattori, Marina Porcelloni, Piero D'Andrea, Rose-Marie Catalioto, Alessandro Ettorre, Sandro Giuliani, Elena Marastoni, Sandro Mauro, Stefania Meini, Cristina Rossi, Maria Altamura, Carlo A Maggi

J Med Chem. 2010 May 27;53(10):4148-65.

PMID: 20408549

Abstract:

As part of a project aimed at the identification of a series of small, orally available antagonists for the hNK(2) receptor, starting from one of our capped dipeptide libraries, we succeeded in the chemical optimization of the first identified leads, finally producing a class of molecules with significant activity in our animal model after iv administration. We herein report the results of further chemical modifications made to reduce the overall peptide character of this series and the consequent improvement of their in vivo antagonist activity. The present work identified 6-methylbenzo[b]thiophene-2-carboxylic acid (1-[(S)-1-benzyl-4-[4-(tetrahydropyran-4-ylmethyl)piperazin-1-yl]butylcarbamoyl]cyclopentyl)amide (10i), endowed with subnanomolar potency in all the in vitro tests and being highly potent and of long duration upon in vivo testing after both iv and id dosing.

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
LS7931227	Thiophene-2-carboxylic acid methyl ester-5-boric acid			Price

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