(R)-1-(2,4-二氟苯基)乙胺 | 791098-84-5

• 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: (R)-1-(2,4-二氟苯基)乙胺
• 中文别名: (αr)-2,4-二氟-α-甲基苯甲胺
• 英文名称: (R)-1-(2,4-difluorophenyl)ethan-1-amine
• 英文别名: (1R)-1-(2,4-difluorophenyl)ethanamine；(R)-1-(2,4-difluorophenyl)ethanamine；(R)-1-(2,4-difluoro-phenyl)-ethylamine；(R)-1-(2,4-difluorophenyl)-ethylamine
• CAS: 791098-84-5
• 化学式: C₈H₉F₂N
• mdl: MFCD06761833
• 分子量: 157.163
• InChiKey: VBPKWFKAYDHOQW-RXMQYKEDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险品运输编号：
  2735
• 危险性描述：
  H302,H315,H318,H335

反应信息

• 作为反应物：
  描述：

  (R)-1-(2,4-二氟苯基)乙胺 在 sodium tetrahydroborate 、 水 、 2-氯-1,3-二甲基氯化咪唑啉 、 sodium hydroxide 作用下， 以 甲醇 、 N,N-二甲基乙酰胺 为溶剂， 反应 19.0h， 生成 6-({[(1R)-1-(2,4-difluorophenyl)ethyl](isoquinolin-3-ylcarbonyl)amino}methyl)pyridine-2-carboxylic acid
  参考文献：
  名称：

  Discovery of a Selective TRPM8 Antagonist with Clinical Efficacy in Cold-Related Pain

  摘要：

  The transient receptor potential (TRP) family of ion channels comprises nonselective cation channels that respond to a wide range of chemical and thermal stimuli. TRPM8, a member of the melastatin subfamily, is activated by cold temperatures (<28 degrees C), and antagonists of this channel have the potential to treat cold induced allodynia and hyperalgesia. However, TRPM8 has also been implicated in mammalian thermoregulation and antagonists have the potential to induce hypothermia in patients. We report herein the identification and optimization of a series of TRPM8 antagonists that ultimately led to the discovery of PF-05105679. The clinical finding with this compound will be discussed, including both efficacy and its ability to affect thermoregulation processes in humans.

  DOI：

  10.1021/ml500479v
• 作为产物：
  描述：

  (R)-1-(2,4-二氟苯基)乙胺盐酸盐 在 sodium hydroxide 、 水 作用下， 生成 (R)-1-(2,4-二氟苯基)乙胺
  参考文献：
  名称：

  WO2008/124518

  摘要：

  公开号：

文献信息

• [EN] POLYCYCLIC-CARBAMOYLPYRIDONE COMPOUNDS AND THEIR PHARMACEUTICAL USE<br/>[FR] COMPOSÉS DE CARBAMOYLPYRIDONE POLYCYCLIQUES ET LEUR UTILISATION PHARMACEUTIQUE
  申请人：GILEAD SCIENCES INC

  公开号：WO2014100323A1

  公开（公告）日：2014-06-26

  Compounds for use in the treatment of human immunodeficiency virus (HIV) infection are disclosed. The compounds have the following Formula (I): including stereoisomers and pharmaceutically acceptable salts thereof, wherein R1, X, W, Y1, Y2, Ζ1 and Z4 are as defined herein. Methods associated with preparation and use of such compounds, as well as pharmaceutical compositions comprising such compounds, are also disclosed.

  披露了用于治疗人类免疫缺陷病毒（HIV）感染的化合物。这些化合物具有以下式（I）：包括立体异构体和其药用可接受的盐，其中R1、X、W、Y1、Y2、Ζ1和Z4如本文所定义。还披露了与这些化合物的制备和使用相关的方法，以及包含这些化合物的药物组合物。
• Quinoxaline compounds
  申请人：Allison D. Brett

  公开号：US20050038032A1

  公开（公告）日：2005-02-17

  Certain amidophenyl-sulfonylamino-quinoxaline compounds are CCK2 modulators useful in the treatment of CCK2 mediated diseases.

  某些氨基苯磺酰胺基喹喔啉化合物是CCK2调节剂，可用于治疗CCK2介导的疾病。
• [EN] CD73 INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE CD73 ET LEURS UTILISATIONS
  申请人：PELOTON THERAPEUTICS INC

  公开号：WO2018183635A1

  公开（公告）日：2018-10-04

  Compounds that modulate CD73 activity, pharmaceutical compositions containing these compounds, and methods of using these compounds for treating diseases associated with CD73 activity are described herein.

  本文描述了调节CD73活性的化合物、含有这些化合物的药物组合物，以及使用这些化合物治疗与CD73活性相关疾病的方法。
• TRK INHIBITION
  申请人：NantBio, Inc.

  公开号：US20180346450A1

  公开（公告）日：2018-12-06

  The present invention relates to the use of substituted pyrazole derivatives to modulate tropomyosin-related kinase (Trk) family protein kinase, and the use of the substituted pyrazole derivatives for the treatment of pain, inflammation, cancer, restenosis, atherosclerosis, psoriasis, thrombosis, a disease, disorder, injury, or malfunction relating to dysmyelination or demyelination or a disease or disorder associated with abnormal activities of nerve growth factor (NGF) receptor TrkA.

  本发明涉及使用取代吡唑衍生物来调节肌浆膜相关激酶（Trk）家族蛋白激酶，并且使用这些取代吡唑衍生物来治疗疼痛、炎症、癌症、再狭窄、动脉粥样硬化、银屑病、血栓形成、与失髓鞘或脱髓鞘有关的疾病、紊乱、损伤或功能障碍，或与神经生长因子（NGF）受体TrkA异常活动相关的疾病或紊乱。
• [EN] ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TRPM8 MODULATORS<br/>[FR] DÉRIVÉS DE CARBOXAMIDE SUBSTITUÉS PAR ARYLE EN TANT QUE MODULATEURS DE TRPM8
  申请人：PFIZER LTD

  公开号：WO2012120398A1

  公开（公告）日：2012-09-13

  The invention provides a compound of the formula (I): wherein A, R1, R2 and R3 are as defined herein, or a pharmaceutically acceptable salt thereof. Such compounds are small molecule TRPM8 blockers and therefore useful in the propylaxis or treatment of a wide range of diseases, conditions or syndromes, including cold allodynia and Raynaulds syndrome.

  本发明提供了一种化合物，其化学式为（I）：其中A、R1、R2和R3如本文所定义，或其药学上可接受的盐。这些化合物是小分子TRPM8阻断剂，因此在预防或治疗包括寒冷痛觉异常和雷诺综合征在内的各种疾病、症状或综合征中有用。