(2,2-二氟-2-吡啶-2-基乙基)三氟甲磺酸酯 | 267875-66-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 中文名称: (2,2-二氟-2-吡啶-2-基乙基)三氟甲磺酸酯
• 英文名称: 2,2-difluoro-2-(pyridin-2-yl)ethyl trifluoromethanesulfonate
• 英文别名: 2,2-difluoro-2-(2-pyridyl)ethyl trifluoromethanesulfonate；(2,2-difluoro-2-pyridin-2-ylethyl) trifluoromethanesulfonate
• CAS: 267875-66-1
• 化学式: C₈H₆F₅NO₃S
• 分子量: 291.199
• InChiKey: FSHWRWRFDRMLFH-UHFFFAOYSA-N

物化性质

• 沸点：
  290.7±40.0 °C(Predicted)
• 密度：
  1.552±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  64.6
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  (2,2-二氟-2-吡啶-2-基乙基)三氟甲磺酸酯 在 sodium azide 、 三苯基膦 作用下， 以 四氢呋喃 、 N,N-二甲基乙酰胺 为溶剂， 反应 51.0h， 生成 2,2-二氟-2-吡啶-2-乙胺
  参考文献：
  名称：

  2,6-Diaminopyridine Compounds Suitable For Treating Diseases Associated With Amyloid Or Amyloid-Like Proteins Or For Treating Or Preventing Ocular Diseases Or Conditions Associated With A Pathological Abnormality/Change In The Tissue Of The Visual System

  摘要：

  本发明涉及2,6-二氨基吡啶化合物，可用于治疗与淀粉样蛋白相关的一组疾病和异常以及与淀粉样蛋白类似蛋白相关的疾病或病况。本发明的化合物还可用于治疗与视觉系统组织中的病理异常/变化相关的眼部疾病。

  公开号：

  US20110092537A1
• 作为产物：
  描述：

  2-吡啶乙酸乙酯 在 sodium tetrahydroborate 、 2,6-二叔丁基-4-甲基吡啶 、 双(三甲基硅烷基)氨基钾 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 反应 2.75h， 生成 (2,2-二氟-2-吡啶-2-基乙基)三氟甲磺酸酯
  参考文献：
  名称：

  Metabolism-Directed Optimization of 3-Aminopyrazinone Acetamide Thrombin Inhibitors. Development of an Orally Bioavailable Series Containing P1 and P3 Pyridines

  摘要：

  Recent efforts in the field of thrombin inhibitor research have focused on the identification of compounds with good oral bioavailability and pharmacokinetics. In this manuscript we describe a metabolism-based approach to the optimization of the 3-(2-phenethylamino)-6-methylpyrazinone acetamide template (e.g., 1) which resulted in the,modification of each of the three principal components (i.e., P1, P2, P3) comprising this series. As a result of these studies, several potent thrombin inhibitors (e.g., 20, 24, 25) were identified which exhibit high levels of oral bioavailability and long plasma half-lives.

  DOI：

  10.1021/jm020311f

文献信息

• Thrombin inhibitors
  申请人：Merck & Co., Inc.

  公开号：US06610692B1

  公开（公告）日：2003-08-26

  Compounds of the invention are useful in inhibiting thrombin and associated thrombotic occlusions having the following structure: or a pharmaceutically acceptable salt thereof, wherein b is NY or O; c is CY2 or N; d is CY3 or N; e is CY4 or N; f is CY5 or N; g is CY6 or N; Y4, Y5, and Y6 are independently hydrogen, C1-4 alkyl, or halogen; Y1 and Y2 are independently hydrogen, C1-4 alkyl, C3-7 cycloalkyl, halogen, NH2, OH or C1-4 alkoxy, and Y3 is hydrogen, C1-4 alkyl, C3-7 cycloalkyl, halogen, —CN, NH2, OH or C1-4 alkoxy; A is and W, W1, R1, R3, R4, R5, X and Z are defined in the specification.

  发明的化合物在抑制凝血酶和相关血栓闭塞方面具有以下结构：或其药学上可接受的盐，其中b为NY或O；c为CY2或N；d为CY3或N；e为CY4或N；f为CY5或N；g为CY6或N；Y4、Y5和Y6独立地为氢、C1-4烷基或卤素；Y1和Y2独立地为氢、C1-4烷基、C3-7环烷基、卤素、NH2、OH或C1-4烷氧基，Y3为氢、C1-4烷基、C3-7环烷基、卤素、—CN、NH2、OH或C1-4烷氧基；A为，并且W、W1、R1、R3、R4、R5、X和Z在规范中有定义。
• [EN] SUBSTITUTED PYRAZOLE COMPOUNDS AS SERINE PROTEASE INHIBITORS<br/>[FR] COMPOSÉS PYRAZOLE SUBSTITUÉS À UTILISER EN TANT QU'INHIBITEURS DE SÉRINE PROTÉASE
  申请人：VERSEON CORP

  公开号：WO2016138532A1

  公开（公告）日：2016-09-01

  There are provided inter alia multisubstituted aromatic compounds useful for the inhibition of thrombin and/or kallikrein, which compounds include substituted pyrazolyl. There are additionally provided pharmaceutical compositions. There are additionally provided methods of treating and preventing certain diseases or disorders, which diseases or disorders are amenable to treatment or prevention by the inhibition of thrombin and/or kallikrein.

  提供了一些多取代芳香族化合物，其中包括取代吡唑基，用于抑制凝血酶和/或激肽释放酶。此外，还提供了药物组合物。此外，还提供了一种治疗和预防某些疾病或疾病的方法，这些疾病或疾病可以通过抑制凝血酶和/或激肽释放酶进行治疗或预防。
• Pyrazinone thrombin inhibitors
  申请人：Merck & Co., Inc.

  公开号：US06387911B1

  公开（公告）日：2002-05-14

  Compounds of the invention are useful in inhibiting thrombin and associated thrombotic occlusions having the following structure: or a pharmaceutically acceptable salt thereof, wherein A is

  发明的化合物在抑制凝血酶和相关血栓闭塞方面具有以下结构：或其药用可接受的盐，其中 A 是
• Thiazolinone unsubstituted quinolines
  申请人：Chen Li

  公开号：US20060004045A1

  公开（公告）日：2006-01-05

  Thiazolinone quinoline derivatives having no substitution on the quinoline ring active as CDK1 inhibitors which are useful as anti-proliferation agents such as for treating solid tumors.

  噻唑酮喹啉衍生物在喹啉环上没有取代基，作为CDK1抑制剂活性，可用作抗增殖剂，例如用于治疗实体肿瘤。
• [EN] NEW 5,6-DIHYDROPYRIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN<br/>[FR] NOUVEAUX COMPOSES DE 5,6-DIHYDROPYRIN-2-ONE UTILES EN TANT QU'INHIBITEURS DE THROMBINE
  申请人：ASTRAZENECA AB

  公开号：WO2005058826A1

  公开（公告）日：2005-06-30

  There is provided a compound of formula (I) wherein R1, R2a, R2b, R3a, R3b, R4, R5, R6, A, G and L have meanings given in the description, which compounds are useful as, or are useful as prodrugs of, competetive inhibitors of trypsin-like proteases, such as trombin, and thus, in particular, in the treatment of conditions where inhibition of thrombin is beneficial (e,g. conditions, such as thrombo-embolisms, where inhibition of trombin is required or desired, and/or conditions wherea anticoagulant thererapy is indicated).

  提供了一个式(I)的化合物，其中R1、R2a、R2b、R3a、R3b、R4、R5、R6、A、G和L的含义如描述中所给，这些化合物可用作或可用作胰蛋白酶类竞争性抑制剂的前体药物，例如血栓素，因此特别适用于治疗需要抑制血栓素有益的疾病（例如需要或希望抑制血栓素的血栓栓塞等疾病，以及抗凝治疗适用的疾病）。