phenyl (6-(trifluoromethyl)pyridin-2-yl)carbamate | 871556-32-0

• 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: phenyl (6-(trifluoromethyl)pyridin-2-yl)carbamate
• 英文别名: (6-trifluoromethyl-pyridin-2-yl)-carbamic acid phenyl ester；Phenyl[6-(trifluoromethyl)pyridin-2-yl]carbamate；phenyl N-[6-(trifluoromethyl)pyridin-2-yl]carbamate
• CAS: 871556-32-0
• 化学式: C₁₃H₉F₃N₂O₂
• 分子量: 282.222
• InChiKey: XWCJADZPIDOVFV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  51.2
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  phenyl (6-(trifluoromethyl)pyridin-2-yl)carbamate 、 1-[4-amino-5-(4-aminophenyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]ethanone 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以62%的产率得到N-[4-(7-acetyl-4-aminopyrrolo[2,1-f][1,2,4]triazin-5-yl)phenyl]-N'-[6-(trifluoromethyl)pyridin-2-yl]urea
  参考文献：
  名称：

  WO2007/64931

  摘要：

  公开号：
• 作为产物：
  描述：

  2-氨基-6-(三氟甲基)吡啶 、 氯甲酸苯酯 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 生成 phenyl (6-(trifluoromethyl)pyridin-2-yl)carbamate
  参考文献：
  名称：

  Structure–Activity Relationship Studies and Discovery of a Potent Transient Receptor Potential Vanilloid (TRPV1) Antagonist 4-[3-Chloro-5-[(1S)-1,2-dihydroxyethyl]-2-pyridyl]-N-[5-(trifluoromethyl)-2-pyridyl]-3,6-dihydro-2H-pyridine-1-carboxamide (V116517) as a Clinical Candidate for Pain Management

  摘要：

  A series of novel tetrahydropyridinecarboxamide TRPV1 antagonists were prepared and evaluated in an effort to optimize properties of previously described lead compounds from piperazinecarboxamide series. The compounds were evaluated for their ability to block capsaicin and acid-induced calcium influx in CHO cells expressing human TRPV1. The most potent of these TRPV1 antagonists were further characterized in pharmacokinetic, efficacy, and body temperature studies. On the basis of its pharmacokinetic, in vivo efficacy, safety, and toxicological properties, compound 37 was selected for further evaluation in human clinical trials.

  DOI：

  10.1021/jm500818a

文献信息

• NOVEL HETEROCYCLYL COMPOUNDS
  申请人：Aebi Johannes

  公开号：US20100016282A1

  公开（公告）日：2010-01-21

  The invention is concerned with novel heterocyclyl compounds of formula (I) wherein A, X, Y 1 , Y 2 , Y 3 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 10 , m, n and p are as defined in the description and in the claims, as well as physiologically acceptable salts thereof. These compounds are antagonists of CCR2 receptor, CCR5 receptor and/or CCR3 receptor and can be used as medicaments.

  该发明涉及式(I)的新异环丙基化合物，其中A、X、Y1、Y2、Y3、R3、R4、R5、R6、R7、R8、R9、R10、m、n和p的定义如描述和索赔中所述，并且其生理上可接受的盐。这些化合物是CCR2受体、CCR5受体和/或CCR3受体的拮抗剂，可以用作药物。
• Substituted 4-Amino-Pyrrolotriazine Derivatives Useful for Treating Hyper-Proliferative Disorders and Diseases Associated with Angiogenesis
  申请人：Dixon Julie

  公开号：US20100063038A1

  公开（公告）日：2010-03-11

  This invention relates to novel pyrrozolotriazine compounds, pharmaceutical compositions containing such compounds and and the use of those compounds or compositions for treating hyper-proliferative and/or angiogenesis disorders, as a sole agent or in combination with other active ingredients.

  本发明涉及新型吡唑三嗪化合物，包含这些化合物的制药组合物以及使用这些化合物或组合物治疗过度增殖和/或血管生成失调的方法，作为唯一活性成分或与其他活性成分联合使用。
• SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS
  申请人：Dixon Julie A.

  公开号：US20100179125A1

  公开（公告）日：2010-07-15

  This invention relates to novel pyrrozolotriazine compounds, pharmaceutical compositions containing such compounds and the use of those compounds or compositions for treating hyper-proliferative and/or angiogenesis disorders, as a sole agent or in combination with other active ingredients.

  本发明涉及新颖的吡咯烷三嗪化合物、含有这些化合物的制药组合物以及使用这些化合物或组合物治疗增殖过度和/或血管生成障碍的方法，作为单一药剂或与其他活性成分联合使用。
• Substituted 4-amino-pyrrolotriazine derivatives useful for treating hyper-proliferative disorders and diseases associated with angiogenesis
  申请人：Bayer HealthCare LLC

  公开号：US08143393B2

  公开（公告）日：2012-03-27

  This invention relates to novel pyrrozolotriazine compounds, pharmaceutical compositions containing such compounds and the use of those compounds or compositions for treating hyper-proliferative and/or angiogenesis disorders, as a sole agent or in combination with other active ingredients.

  本发明涉及新型吡咯烷三氮杂化合物，含有该化合物的制药组合物以及将该化合物或组合物用于治疗增生过度和/或血管生成障碍的用途，可以作为单一药物或与其他活性成分组合使用。
• NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2307387A1

  公开（公告）日：2011-04-13