(S)-1-[4-(3-Amino-phenyl)-piperazin-1-yl]-propan-2-ol | 1257706-01-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (S)-1-[4-(3-Amino-phenyl)-piperazin-1-yl]-propan-2-ol
• 英文别名: (2S)-1-[4-(3-aminophenyl)piperazin-1-yl]propan-2-ol
• CAS: 1257706-01-6
• 化学式: C₁₃H₂₁N₃O
• 分子量: 235.329
• InChiKey: WJPXGYMDCJPECY-NSHDSACASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  52.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (S)-1-[4-(3-Amino-phenyl)-piperazin-1-yl]-propan-2-ol 、 trifluoro-methanesulfonic acid 7-(2-methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-yl ester 以 丙二醇甲醚 为溶剂， 生成 (S)-1-(4-{3-[7-(2-methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-ylamino]-phenyl}-piperazin-1-yl)-propan-2-ol
  参考文献：
  名称：

  2,7-Pyrrolo[2,1-f][1,2,4]triazines as JAK2 inhibitors: Modification of target structure to minimize reactive metabolite formation

  摘要：

  The JAK2/STAT pathway has important roles in hematopoiesis. With the discovery of the JAK2 V617F mutation and its presence in many patients with myeloproliferative neoplasms, research in the JAK2 inhibitor arena has dramatically increased. We report a novel series of potent JAK2 inhibitors containing a 2,7-pyrrolotriazine core. To minimize potential drug-induced toxicity, targets were analyzed for the ability to form a glutathione adduct. Glutathione adduct formation was decreased by modification of the aniline substituent at C2. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.10.032

文献信息

• Preparation and Uses of 1,2,4-Triazolo [1,5a] Pyridine Derivatives
  申请人：Cephalon, Inc.

  公开号：US20130296312A1

  公开（公告）日：2013-11-07

  This application relates, in part, to compounds of the general Formula I and/or salts thereof, wherein X, R 1A , R 1B , R 2 , R 3 , R 4 , and R 5 are as defined herein. The application also relates to compositions and methods of inhibiting at least JAK2 in subjects in recognized need thereof for the treatment of diseases or disorders for which inhibition of at least JAK2 is indicated.

  该应用程序部分涉及一般式I化合物和/或其盐，其中X、R1A、R1B、R2、R3、R4和R5的定义如本文所述。该应用程序还涉及组合物和方法，用于抑制至少在有需要的患者中的JAK2，以治疗需要抑制至少JAK2的疾病或疾病。
• Preparation and uses of 1,2,4-triazolo [1,5a] pyridine derivatives
  申请人：Curry Matthew A.

  公开号：US08501936B2

  公开（公告）日：2013-08-06

  This application relates to compounds of the general Formula I and salts thereof, wherein X, R1A, R1B, R2, R3, R4, and R5 are as defined herein. The application also relates to compositions and methods of treatment of hyperproliferative diseases or disorders.

  本申请涉及一般式I的化合物及其盐，其中X、R1A、R1B、R2、R3、R4和R5的定义如本文所述。本申请还涉及治疗过度增殖性疾病或障碍的组合物和方法。
• US8501936B2
  申请人：——

  公开号：US8501936B2

  公开（公告）日：2013-08-06
• US8633173B2
  申请人：——

  公开号：US8633173B2

  公开（公告）日：2014-01-21
• 2,7-Pyrrolo[2,1-f][1,2,4]triazines as JAK2 inhibitors: Modification of target structure to minimize reactive metabolite formation
  作者：Linda R. Weinberg、Mark S. Albom、Thelma S. Angeles、Henry J. Breslin、Diane E. Gingrich、Zeqi Huang、Joseph G. Lisko、Jennifer L. Mason、Karen L. Milkiewicz、Tho V. Thieu、Ted L. Underiner、Gregory J. Wells、Kevin J. Wells-Knecht、Bruce D. Dorsey

  DOI：10.1016/j.bmcl.2011.10.032

  日期：2011.12

  The JAK2/STAT pathway has important roles in hematopoiesis. With the discovery of the JAK2 V617F mutation and its presence in many patients with myeloproliferative neoplasms, research in the JAK2 inhibitor arena has dramatically increased. We report a novel series of potent JAK2 inhibitors containing a 2,7-pyrrolotriazine core. To minimize potential drug-induced toxicity, targets were analyzed for the ability to form a glutathione adduct. Glutathione adduct formation was decreased by modification of the aniline substituent at C2. (C) 2011 Elsevier Ltd. All rights reserved.