4-甲基-1-苯基-2-戊胺 | 67309-38-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-甲基-1-苯基-2-戊胺
• 英文名称: 4-methyl-1-phenylpentan-2-amine
• 英文别名: 1-Phenyl-2-amino-4-methylpentane
• CAS: 67309-38-0
• 化学式: C₁₂H₁₉N
• 分子量: 177.29
• InChiKey: RKEOVRRMCWDEBR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-甲基-1-苯基-2-戊胺 、 2-(3-ethoxy-3-oxopropyl)-5-(phenoxymethyl)benzoicacid 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
  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：

  (4-Methyl-2-nitropent-1-enyl)benzene 在 sodium tetrahydroborate 、 三氟化硼乙醚 、 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 15.0h， 以260 mg的产率得到4-甲基-1-苯基-2-戊胺
  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

• Gonadotropin-releasing hormone receptor antagonists and methods relating thereto
  申请人：Zhu Yun-Fei

  公开号：US20070208049A1

  公开（公告）日：2007-09-06

  GnRH receptor antagonists are disclosed that have utility in the treatment of a variety of sex-hormone related conditions in both men and women. The compounds of this invention have the structure: wherein A, Q, R 1 , R 2 , R 3a , R 3b , R 4 , R 5 , R 6 and n are as defined herein, including stereoisomers, prodrugs and pharmaceutically acceptable salts thereof. Also disclosed are compositions containing a compound of this invention in combination with a pharmaceutically acceptable carrier, as well as methods relating to the use thereof for antagonizing gonadotropin-releasing hormone in a subject in need thereof.

  本发明揭示了GnRH受体拮抗剂，其在治疗男女性激素相关疾病方面具有用途。本发明的化合物具有以下结构：其中A、Q、R1、R2、R3a、R3b、R4、R5、R6和n的定义如本文所述，包括立体异构体、前药和其药学上可接受的盐。本发明还揭示了含有本发明化合物与药学上可接受的载体组合的组合物，以及与其相关的方法，用于在需要时对抗促性腺激素释放激素。
• FLAVIN DERIVATIVES
  申请人：Coish Philip D. G.

  公开号：US20130029980A1

  公开（公告）日：2013-01-31

  The present invention relates novel flavin derivatives, their use and compositions for use as riboswitch ligands and/or anti-infectives.

  本发明涉及新型黄素衍生物，其用途和组合物，用作核糖开关配体和/或抗感染剂。
• 2-Pyridyl Carboxamide-Containing Spleen Tyrosine Kinase (SYK) Inhibitors
  申请人：MERCK SHARP & DOHME CORP.

  公开号：US20140243336A1

  公开（公告）日：2014-08-28

  The invention provides certain 2-pyridyl carboxamide-containing compounds of the Formula (I) or pharmaceutically acceptable salts thereof, wherein A and B are as defined herein. The invention also provides pharmaceutical compositions comprising such compounds, and methods of using the compounds for treating diseases or conditions mediated by Spleen Tyrosine Kinase (Syk) kinase.

  本发明提供了某些含有2-吡啶基羧酰胺的化合物，其化学式为(I)，或其药学上可接受的盐，其中A和B如本文所定义。本发明还提供了包括这些化合物的药物组合物，并且提供了使用这些化合物治疗由脾脏酪氨酸激酶（Syk）介导的疾病或症状的方法。
• GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO
  申请人：NEUROCRINE BIOSCIENCES, INC.

  公开号：EP1255738B1

  公开（公告）日：2012-03-07
• Isoxazole Carboxamide Compounds
  申请人：EPIZYME, INC.

  公开号：US20170190676A1

  公开（公告）日：2017-07-06

  The present disclosure provides substituted isoxazole carboxamide compounds having Formula (I) and the pharmaceutically acceptable salts and solvates thereof, wherein R 1 , R 2 , A, X, and Z are defined as set forth in the specification. The present disclosure is also directed to the use of compounds of Formula I to treat a disorder responsive to the blockade of SMYD proteins such as SMYD3 or SMYD2. Compounds of the present disclosure are especially useful for treating cancer.