2-(4-((2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl)amino)phenyl)acetamide | 1606975-12-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(4-((2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl)amino)phenyl)acetamide
• 英文别名: 2-(4-((2-(3-Chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl)amino)phenyl)acetamide；2-[4-[[2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]acetamide
• CAS: 1606975-12-5
• 化学式: C₁₉H₁₄ClF₃N₄O
• 分子量: 406.795
• InChiKey: KRRGWHSEDYQKDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  80.9
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4-chloro-2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidine 、 2-(4-氨基苯基)乙酰胺 以to afford the title compound (0.042 g, 56%) as an off-white solid的产率得到2-(4-((2-(3-chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl)amino)phenyl)acetamide
  参考文献：
  名称：

  HETEROARYL INHIBITORS OF PDE4

  摘要：

  本发明涉及化合物和方法，用于作为磷酸二酯酶4（PDE4）的抑制剂，用于治疗或预防疾病。

  公开号：

  US20150119362A1

文献信息

• [EN] 3-HYDROXY-2-PHENYL-6-(PYRAZOL-4-YLMETHYL)PYRIDINE DERIVATIVES AS PDE4D INHIBITORS<br/>[FR] DÉRIVÉS DE 3-HYDROXY-2-PHÉNYL-6-(PYRAZOL-4-YLMÉTHYL)PYRIDINE UTILISÉS EN TANT QU'INHIBITEURS DE PDE4D
  申请人：TETRA DISCOVERY PARTNERS INC

  公开号：WO2020219615A1

  公开（公告）日：2020-10-29

  Provided herein are phosphodiesterase 4D (PDE4D) inhibitors of Formula (I), including methods of using the same. Also provided are methods of treating subjects suffering from conditions associated with aberrant PDE activity, in particular Fragile X syndrome, Alzheimer's disease, memory loss, cognitive dysfunction, autistic spectrum disorder, Parkinson's disease, major depression, bipolar disorder, schizophrenia, multiple sclerosis, traumatic brain injury, or chronic traumatic encephalopathy. Formula (I), wherein, R1 is H, C1-6alkyl, or C1-6haloalkyl; R2 is H, C1-3alkyl, or C1-3haloalkyl; R3 and R4 are each H or D, and at least one of R3 and R4 is D; each R5 is independently halo, CN, OH, NO2, C1-6alkoxy, C1-6haloalkoxy, C1-6alkyl, C1-6haloalkyl, O-C3-6cycloalkyl, C1-6hydroxyalkyl, or SO2C1-3alkyl; X and Y are each independently CR6 or N; each R6 is independently H, C1-3alkyl, or C1-3haloalkyl; and n is 0, 1, 2, 3, or 4.

  本文提供了化学式(I)的磷酸二酯酶4D（PDE4D）抑制剂，包括使用这些抑制剂的方法。还提供了治疗患有与异常PDE活性相关的疾病的方法，特别是脆性X综合征、阿尔茨海默病、记忆丧失、认知功能障碍、自闭症谱系障碍、帕金森病、重度抑郁症、双相情感障碍、精神分裂症、多发性硬化症、创伤性脑损伤或慢性创伤性脑病的方法。化学式(I)中，R1为H、C1-6烷基或C1-6卤代烷基；R2为H、C1-3烷基或C1-3卤代烷基；R3和R4各自为H或D，且R3和R4中至少有一个为D；每个R5独立地为卤、CN、OH、NO2、C1-6烷氧基、C1-6卤代烷氧基、C1-6烷基、C1-6卤代烷基、O-C3-6环烷基、C1-6羟基烷基或SO2C1-3烷基；X和Y分别独立为CR6或N；每个R6独立地为H、C1-3烷基或C1-3卤代烷基；n为0、1、2、3或4。
• [EN] STABLE HEAVY ISOTOPES IN AMIDE FUNCTIONAL GROUPS AND USES THEREOF<br/>[FR] ISOTOPES LOURDS STABLES DANS DES GROUPES FONCTIONNELS AMIDE ET UTILISATIONS CORRESPONDANTES
  申请人：RISEN SUZHOU PHARMA TECH CO LTD

  公开号：WO2021189143A1

  公开（公告）日：2021-09-30

  There are provided isotope-enriched compounds containing stable heavy isotope-enriched amide functional groups for modulating the pharmacokinetic profile, metabolic profile, and/or delivery efficiency of a drug or prodrug, as well as its therapeutic or prophylactic efficacy and/or adverse effects. Use of the isotope-enriched amide-containing drugs and prodrugs for the treatment or prevention of disease states and conditions is also provided. (I)

  提供了含有稳定重同位素富集酰胺功能基团的化合物，用于调节药物或前药的药代动力学特性、代谢特性和/或传递效率，以及其治疗或预防效果和/或不良反应。还提供了使用富含同位素酰胺的药物和前药治疗或预防疾病状态和病症的方法。
• Heteroaryl inhibitors of PDE4
  申请人：Tetra Discovery Partners, LLC

  公开号：US09221843B2

  公开（公告）日：2015-12-29

  The present invention relates to compounds and methods useful as inhibitors of phosphodiesterase 4 (PDE4) for the treatment or prevention of disease.

  本发明涉及化合物和方法，用于作为磷酸二酯酶4（PDE4）的抑制剂，用于治疗或预防疾病。
• PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF AUTISM
  申请人：Stalicla S.A.

  公开号：EP3498297A1

  公开（公告）日：2019-06-19

  The present invention relates to a pharmaceutical composition or a kit comprising o a substance capable of raising intracellular cAMP levels and o a substance capable of modulating intracellular calcium concentration. Likewise, the present invention relates a pharmaceutical composition for use in the treatment of ASD phenotype 1, the pharmaceutical composition comprising a substance capable of raising intracellular cAMP levels.

  本发明涉及一种药物组合物或试剂盒，其中包括 o 一种能够提高细胞内 cAMP 水平的物质和 o 一种能够调节细胞内钙浓度的物质。 同样，本发明涉及一种用于治疗ASD表型1的药物组合物，该药物组合物包含一种能够提高细胞内cAMP水平的物质。
• Pharmaceutical composition for the treatment of autism
  申请人：Stalicla S.A.

  公开号：US10940140B2

  公开（公告）日：2021-03-09

  The present invention relates to a pharmaceutical composition or a kit comprising, a first substance capable of raising intracellular cAMP levels, and a second substance capable of modulating intracellular calcium concentration. Likewise, the present invention relates to methods of treating patients suffering from autism spectrum disorder (ASD) phenotype 1 by administering an effective amount of a substance capable of raising intracellular cAMP levels and, optionally, an effective amount of a substance capable of modulating intracellular calcium concentration.

  本发明涉及一种药物组合物或试剂盒，其中包括能够提高细胞内cAMP水平的第一种物质和能够调节细胞内钙浓度的第二种物质。 同样，本发明涉及治疗自闭症谱系障碍（ASD）表型1患者的方法，即施用有效量的能够提高细胞内cAMP水平的物质，以及可选地施用有效量的能够调节细胞内钙浓度的物质。