甲基5-氨基-2-萘甲酸酯 | 214628-89-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 甲基5-氨基-2-萘甲酸酯
• 英文名称: methyl 5-amino-2-naphthoate
• 英文别名: methyl 5-aminonaphthalene-2-carboxylate
• CAS: 214628-89-4
• 化学式: C₁₂H₁₁NO₂
• 分子量: 201.225
• InChiKey: FQINCIUCUPLHKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  甲基5-氨基-2-萘甲酸酯 在 tetrafluoroboric acid 、 硫酸 、 sodium nitrite 作用下， 生成 methyl 5-hydroxy-2-naphthoate
  参考文献：
  名称：

  Structural modifications of 6-naphthalene-2-carboxylate retinoids

  摘要：

  The keto linker of 2-naphthoate retinoid 1 has been found nonessential for RAR transactivation activity and can be replaced with heteroatoms such as S, O, N without significant reduction of the activity. On the other hand, substitutions on the aromatic rings of retinoids 1 and 2 resulted in analogs with reduced potentcy and RAR selectivity. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00524-0
• 作为产物：
  描述：

  5-氨基-2-萘酚 在 palladium diacetate 吡啶 、 盐酸 、 4-二甲氨基吡啶 、 sodium hydroxide 、 1,3-双(二苯基膦)丙烷 、 三乙胺 作用下， 生成 甲基5-氨基-2-萘甲酸酯
  参考文献：
  名称：

  Structural modifications of 6-naphthalene-2-carboxylate retinoids

  摘要：

  The keto linker of 2-naphthoate retinoid 1 has been found nonessential for RAR transactivation activity and can be replaced with heteroatoms such as S, O, N without significant reduction of the activity. On the other hand, substitutions on the aromatic rings of retinoids 1 and 2 resulted in analogs with reduced potentcy and RAR selectivity. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00524-0

文献信息

• [EN] FARNESOID X RECEPTOR AGONISTS AND USES THEREOF<br/>[FR] AGONISTES DU RÉCEPTEUR X FARNÉSOÏDE ET LEURS UTILISATIONS
  申请人：METACRINE INC

  公开号：WO2017049177A1

  公开（公告）日：2017-03-23

  Described herein are compounds that are farnesoid X receptor agonists, methods of making such compounds, pharmaceutical compositions and medicaments comprising such compounds, and methods of using such compounds in the treatment of conditions, diseases, or disorders associated with farnesoid X receptor activity.

  本发明涉及法尼醇X受体激动剂化合物，制造此类化合物的方法，包含此类化合物的药物组合物和药品，以及使用此类化合物治疗与法尼醇X受体活性相关的状况、疾病或失调的方法。
• Melanin-concentrating hormone antagonist
  申请人：——

  公开号：US20040077628A1

  公开（公告）日：2004-04-22

  A melanin-concentrating hormone antagonist comprising a compound of the formula (I): 1 wherein Ar 1 is a cyclic group which may be substituted; X and Y are the same or different and are a spacer having a main chain of 1 to 6 atoms; Ar is a condensed polycyclic aromatic ring which may be substituted; R 1 and R 2 are the same or different and are hydrogen atom or a hydrocarbon group which may be substituted; or R 1 and R 2 , together with the adjacent nitrogen atom, may form a nitrogen-containing heterocyclic ring which may be substituted; or R 2 , together with the adjacent nitrogen atom and Y, may form a nitrogen-containing heterocyclic ring which may be substituted; or R 2 , together with the adjacent nitrogen atom, Y and Ar, may form a condensed ring; or a salt thereof is useful as an agent for preventing or treating obesity, etc.

  一种黑色素浓集激素拮抗剂，包括化合物(I)的一种，其中Ar1是一个可以被取代的环状基团；X和Y相同或不同，是具有1至6个原子的主链间隔物；Ar是一个可以被取代的紧凑多环芳香环；R1和R2相同或不同，是氢原子或可以被取代的碳氢基团；或者R1和R2与相邻的氮原子一起可以形成一个可以被取代的含氮杂环；或者R2与相邻的氮原子和Y一起可以形成一个可以被取代的含氮杂环；或者R2与相邻的氮原子、Y和Ar一起可以形成一个紧凑环；或其盐，可用作预防或治疗肥胖等药物。
• Farnesoid X receptor agonists and uses thereof
  申请人：Metacrine, Inc.

  公开号：US10377717B2

  公开（公告）日：2019-08-13

  Described herein are compounds that are farnesoid X receptor agonists, methods of making such compounds, pharmaceutical compositions and medicaments comprising such compounds, and methods of using such compounds in the treatment of conditions, diseases, or disorders associated with farnesoid X receptor activity.

  本文描述了法尼类固醇 X 受体激动剂化合物、制造此类化合物的方法、包含此类化合物的药物组合物和药物，以及使用此类化合物治疗与法尼类固醇 X 受体活性相关的病症、疾病或紊乱的方法。
• MELANIN CONCENTRATING HORMONE ANTAGONISTS
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1285651B1

  公开（公告）日：2010-09-01
• FARNESOID X RECEPTOR AGONISTS AND USES THEREOF
  申请人：Metacrine, Inc.

  公开号：EP3350166A1

  公开（公告）日：2018-07-25