α-cyclobutyl-4-fluorobenzylamine | 920501-63-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: α-cyclobutyl-4-fluorobenzylamine
• 英文别名: Cyclobutyl(4-fluorophenyl)methanamine；cyclobutyl-(4-fluorophenyl)methanamine
• CAS: 920501-63-9
• 化学式: C₁₁H₁₄FN
• mdl: MFCD09806866
• 分子量: 179.237
• InChiKey: URHZIKVJKQVHEV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  α-cyclobutyl-4-fluorobenzylamine 、 2,4-滴丙酸 在 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 以32%的产率得到N-[cyclobutyl-(4-fluorophenyl)methyl]-2-(2,4-dichlorophenoxy)propanamide
  参考文献：
  名称：

  Synthesis and structure–activity relationships of novel phenoxyacetamide inhibitors of the Pseudomonas aeruginosa type III secretion system (T3SS)

  摘要：

  The increasing prevalence of drug-resistant bacterial infections is driving the discovery and development not only of new antibiotics, but also of inhibitors of virulence factors that are crucial for in vivo pathogenicity. One such virulence factor is the type III secretion system (T3SS), which plays a critical role in the establishment and dissemination of Pseudomonas aeruginosa infections. We have recently described the discovery and characterization of a series of inhibitors of P. aeruginosa T3SS based on a phenoxyacetamide scaffold. To better characterize the factors involved in potent T3SS inhibition, we have conducted a systematic exploration of this structure, revealing several highly responsive structure-activity relationships indicative of interaction with a specific target. Most of the structural features contributing to potency were additive, and combination of those features produced optimized inhibitors with IC50 values <1 mu M. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2015.01.011

文献信息

• [EN] BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS<br/>[FR] DÉRIVÉS HÉTÉROCYCLIQUES BICYCLIQUES ET LEUR UTILISATION EN TANT QUE MODULATEURS DE GPR119
  申请人：SCHERING CORP

  公开号：WO2009143049A1

  公开（公告）日：2009-11-26

  The present invention relates to Bicyclic Heterocycle Derivatives of formula (I), compositions comprising a Bicyclic Heterocycle Derivative, and methods of using the Bicyclic Heterocycle Derivatives for treating or preventing obesity, diabetes, a metabolic disorder, a cardiovascular disease or a disorder related to the activity of GPR1 19 in a patient.

  本发明涉及公式（I）的双环杂环衍生物，包含双环杂环衍生物的组合物，以及使用双环杂环衍生物治疗或预防患者的肥胖、糖尿病、代谢紊乱、心血管疾病或与GPR119活性相关的疾病的方法。
• [EN] BROAD-SPECTRUM INHIBITORS OF FILOVIRUSES<br/>[FR] INHIBITEURS À LARGE SPECTRE DE FILOVIRUS
  申请人：MICROBIOTIX INC

  公开号：WO2018106667A1

  公开（公告）日：2018-06-14

  The present invention is related to the development of therapeutics and prophylactics for the treatment and/or prevention of filovirus infection in humans and other mammals. A new class of small molecules is disclosed that inhibits the interaction of naturally processed (i.e., proteolytically cleaved) filovirus glycoprotein (GPCL) with its host receptor Niemann-Pick C 1 (NPCl) protein and thus block infection of host cells by filoviruses. Also disclosed are methods of using the small molecule inhibitors in the treatment/prevention of filovirus infection.

  本发明涉及开发用于治疗和/或预防人类和其他哺乳动物的Filovirus感染的治疗和预防剂。揭示了一类新的小分子，它抑制了自然加工（即蛋白酶水解）的Filovirus糖蛋白（GPCL）与其宿主受体Niemann-Pick C1（NPC1）蛋白的相互作用，从而阻止Filovirus感染宿主细胞。还揭示了在治疗/预防Filovirus感染中使用小分子抑制剂的方法。
• [EN] AMINOTHIAZOLE DERIVATIVES AND THEIR USE AS CRF RECEPTOR LIGANDS<br/>[FR] DERIVES D'AMINOTHIAZOLE ET LEUR UTILISATION COMME LIGANDS DES RECEPTEURS CRF
  申请人：SANOFI SYNTHELABO

  公开号：WO2001005776A1

  公开（公告）日：2001-01-25

  La présente invention concerne les composés de formule (I) dans laquelle R1, R2, R3, R4, R5, R6 et R7 sont tels que définis dans la revendication 1. Ces composés sont affins pour les récepteurs du CRF.

  本发明涉及具有式（I）的化合物，其中R1，R2，R3，R4，R5，R6和R7如权利要求1中所定义。这些化合物对CRF受体具有亲和力。
• Amide Derivatives as Kinase Inhibitors
  申请人：Defert Olivier Raynald

  公开号：US20090118283A1

  公开（公告）日：2009-05-07

  The present invention relates to new AGC kinase inhibitors, in particular to compounds of Formula (I) or (II) or a stereoisomer tautomer, racemic, metabolite, pro- or predrug, salt, hydrate, or solvate thereof, wherein Ar 1 , Ar 2 , R 1 , R 3 , p and n have the meaning defined in the claims In particular, the present invention relates to more specifically AGC kinases inhibitors, compositions, in particular pharmaceuticals, comprising such inhibitors, and to uses of such inhibitors in the treatment and prophylaxis of disease.

  本发明涉及新的AGC激酶抑制剂，特别是公式（I）或（II）的化合物或其立体异构体、互变异构体、外消旋体、代谢物、前药或前药、盐、水合物或溶剂化物，其中Ar1、Ar2、R1、R3、p和n在权利要求中定义。特别地，本发明涉及更具体的AGC激酶抑制剂、包含这种抑制剂的组合物，特别是药物，以及在治疗和预防疾病中使用这种抑制剂的用途。
• BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS
  申请人：Harris Joel M.

  公开号：US20110065671A1

  公开（公告）日：2011-03-17

  The present invention relates to Bicyclic Heterocycle Derivatives of formula (I), compositions comprising a Bi-cyclic Heterocycle Derivative, and methods of using the Bicyclic Heterocycle Derivatives for treating or preventing obesity, diabetes, a metabolic disorder, a cardiovascular disease or a disorder related to the activity of GPR1 19 in a patient.

  本发明涉及式(I)的二环杂环衍生物，包括一种二环杂环衍生物的组合物，并且还涉及使用这些二环杂环衍生物来治疗或预防患者的肥胖症、糖尿病、代谢障碍、心血管疾病或与GPR1 19活性相关的疾病的方法。