3-methyl-1-(naphthalen-1-yl)butan-1-aminium chloride | 1204595-16-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-methyl-1-(naphthalen-1-yl)butan-1-aminium chloride
• 英文别名: 3-methyl-1-(1-naphthyl)butan-1-amine hydrochloride；(3-Methyl-1-naphthalen-1-ylbutyl)azanium;chloride；(3-methyl-1-naphthalen-1-ylbutyl)azanium;chloride
• CAS: 1204595-16-3
• 化学式: C₁₅H₁₉N*ClH
• 分子量: 249.784
• InChiKey: RRHFHGWIRLRBQB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.31
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  27.6
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-(3-ethoxy-3-oxopropyl)-5-(phenoxymethyl)benzoicacid 、 3-methyl-1-(naphthalen-1-yl)butan-1-aminium chloride 在 N-甲基吗啉 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 3-(2-((3-methyl-1-(naphthalen-1-yl)butyl)carbamoyl)-4-phenoxymethylphenyl)propanoic acid ethyl ester
  参考文献：
  名称：

  3-(2-Aminocarbonylphenyl)propanoic acid analogs as potent and selective EP3 receptor antagonists. Part 1: Discovery and exploration of the carboxyamide side chain

  摘要：

  A series of 3-(2-aminocarbonyl-4-phenoxymethylphenyl) propanoic acid analogs were synthesized and evaluated for their EP3 antagonist activity in the presence of additive serum albumin. Several compounds were biologically evaluated for their in vivo efficacy with respect to the PGE(2)-induced uterine contraction in pregnant rats as well as their pharmacokinetics. The discovery process of these potent and selective EP3 antagonists and their structure activity relationship are also presented. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.11.023
• 作为产物：
  描述：

  tert-butyl [3-methyl-1-(1-naphthyl)butyl] carbamate 在 盐酸 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 2.0h， 以100%的产率得到3-methyl-1-(naphthalen-1-yl)butan-1-aminium chloride
  参考文献：
  名称：

  3-(2-Aminocarbonylphenyl)propanoic acid analogs as potent and selective EP3 receptor antagonists. Part 1: Discovery and exploration of the carboxyamide side chain

  摘要：

  A series of 3-(2-aminocarbonyl-4-phenoxymethylphenyl) propanoic acid analogs were synthesized and evaluated for their EP3 antagonist activity in the presence of additive serum albumin. Several compounds were biologically evaluated for their in vivo efficacy with respect to the PGE(2)-induced uterine contraction in pregnant rats as well as their pharmacokinetics. The discovery process of these potent and selective EP3 antagonists and their structure activity relationship are also presented. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.11.023

文献信息

• [EN] HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS<br/>[FR] DÉRIVÉS HÉTÉROCYCLIQUES EN TANT QUE MODULATEURS RORGAMMA
  申请人：GENFIT

  公开号：WO2016102633A1

  公开（公告）日：2016-06-30

  The present invention provides novel compounds of formula (I) that are modulators of RORgamma. These compounds, and pharmaceutical compositions comprising the same, are suitable means for treating any disease wherein the modulation of RORgamma has therapeutic effects, for instance in autoimmune diseases, autoimmune-related diseases, inflammatory diseases, fibrotic diseases, or cholestatic diseases.

  本发明提供了一种新颖的公式(I)化合物，该化合物是RORgamma的调节剂。这些化合物以及包含相同化合物的药物组合物，适用于治疗任何一种疾病，其中调节RORgamma具有治疗作用，例如在自身免疫性疾病、自身免疫相关疾病、炎症性疾病、纤维化疾病或胆汁淤积性疾病中。
• HETEROCYCLIC DERIVATIVES AS RORGAMMA MODULATORS
  申请人：Genfit

  公开号：EP3237396B1

  公开（公告）日：2019-07-03
• US9902725B2
  申请人：——

  公开号：US9902725B2

  公开（公告）日：2018-02-27
• 3-(2-Aminocarbonylphenyl)propanoic acid analogs as potent and selective EP3 receptor antagonists. Part 1: Discovery and exploration of the carboxyamide side chain
  作者：Masaki Asada、Tetsuo Obitsu、Toshihiko Nagase、Motoyuki Tanaka、Yoshiyuki Yamaura、Hiroya Takizawa、Ken Yoshikawa、Kazutoyo Sato、Masami Narita、Shuichi Ohuchida、Hisao Nakai、Masaaki Toda

  DOI：10.1016/j.bmc.2009.11.023

  日期：2010.1

  A series of 3-(2-aminocarbonyl-4-phenoxymethylphenyl) propanoic acid analogs were synthesized and evaluated for their EP3 antagonist activity in the presence of additive serum albumin. Several compounds were biologically evaluated for their in vivo efficacy with respect to the PGE(2)-induced uterine contraction in pregnant rats as well as their pharmacokinetics. The discovery process of these potent and selective EP3 antagonists and their structure activity relationship are also presented. (C) 2009 Elsevier Ltd. All rights reserved.