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(2R)-4-(3-fluoropyridin-4-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methylpiperazine-1-carboxamide

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库存信息

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库存信息

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货号 (SKU) 包装规格 是否现货 价格 数量
R608974-5mg
5mg 期货 Stock Image
R608974-25mg
25mg 期货 Stock Image

基本描述

英文名称 (2R)-4-(3-fluoropyridin-4-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methylpiperazine-1-carboxamide
别名 compound 23
英文别名 compound 23

名称和标识符

IUPAC Name (2R)-4-(3-fluoropyridin-4-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methylpiperazine-1-carboxamide
INCHI InChI=1S/C20H25FN4O2/c1-14-13-24(19-7-8-22-12-18(19)21)9-10-25(14)20(26)23-15(2)16-5-4-6-17(11-16)27-3/h4-8,11-12,14-15H,9-10,13H2,1-3H3,(H,23,26)/t14-,15-/m1/s1
InChi Key CIPXFTLGPVQJKN-HUUCEWRRSA-N
Canonical SMILES Fc1cnccc1N1C[C@H](N(CC1)C(=O)N[C@H](C)c1cc(ccc1)OC)C
PubChem CID 155749520

关联配体

Ligand ID 12059
名称 compound 23 [PMID: 35816678]
类别 Synthetic organic
学名 (2R)-4-(3-fluoropyridin-4-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methylpiperazine-1-carboxamide
生物活性评价 LIMK2 (IC50 25 nM) is a likely off-target of compound 23. LIMK2's role in the ROCK-Cofilin pathway suggest that this secondary interaction may influence its apparent potency in cell assays.
评价 This small molecule is a potent Rho kinase (ROCK) inhibitor . It was designed to be selective and to cross the blood-brain barrier, in order to evaluate the potential of ROCK inhibition as a disease modifier in Huntington's disease, since ROCK has been implicated in mutant huntingtin protein's aggregation and neurotoxic effects.

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参考文献

1. Ladduwahetty T, Lee MR, Maillard MC, Cachope R, Todd D, Barnes M, Beaumont V, Chauhan A, Gallati C, Haughan AF et al..  (2022)  Identification of a Potent, Selective, and Brain-Penetrant Rho Kinase Inhibitor and its Activity in a Mouse Model of Huntington's Disease..  J Med Chem,  71  (13):  (1755-70).  [PMID:35816678]

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