2,2-difluoro-2-(2-pyridyl-N-oxide)ethylamine | 342816-00-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2,2-difluoro-2-(2-pyridyl-N-oxide)ethylamine
• 英文别名: 2,2-difluoro-2-(1-oxido-2-pyridintl)ethylamine；2,2-difluoro-2-(1-oxy-pyridin-2-yl)-ethylamine；2,2-difluoro-2-pyridin-2-yl-ethylamine N-oxide；2,2-difluoro-2-(1-oxido-pyridin-2-yl)ethanamine；2,2-difluoro-2-(1-oxido-2-pyridyl)ethanamine；Beta,beta-difluoro-2-pyridineethanamin,1-oxide；2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethanamine
• CAS: 342816-00-6
• 化学式: C₇H₈F₂N₂O
• mdl: MFCD11100798
• 分子量: 174.15
• InChiKey: YLWNNEDEUNTCIX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.285
• 拓扑面积：
  51.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2,2-difluoro-2-(2-pyridyl-N-oxide)ethylamine 在 氢氧化钾 、 N-氯代丁二酰亚胺 、 三乙胺 作用下， 以 甲醇 、 乙醇 、 1,2-二氯乙烷 、 甲苯 为溶剂， 生成 {6-chloro-3-[2,2-difluoro-2-(1-oxy-pyridin-2-yl)ethylamino]-2-oxo-2H-pyrazin-1-yl}acetic acid
  参考文献：
  名称：

  Pharmacokinetic optimization of 3-amino-6-chloropyrazinone acetamide thrombin inhibitors. implementation of P3 pyridine N-Oxides to deliver an orally bioavailable series containing P1 N-Benzylamides

  摘要：

  In this manuscript we demonstrate that a modification principally directed toward the improvement of the aqueous solubility (i.e., introduction a P3 pyridine N-oxide) of the previous lead compound afforded a new series of potent orally bioavailable PI N-benzylamide thrombin inhibitors. An expedited investigation of the PI SAR with respect to oral bioavailability, plasma half-life, and human liver microsome stability revealed 5 as the best candidate for advanced evaluation. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00099-4
• 作为产物：
  描述：

  2,2-difluoro-2-(2-pyridyl)ethyl azide 在 间氯过氧苯甲酸 、 三苯基膦 作用下， 以 四氢呋喃 、 1,2-二氯乙烷 为溶剂， 生成 2,2-difluoro-2-(2-pyridyl-N-oxide)ethylamine
  参考文献：
  名称：

  Pharmacokinetic optimization of 3-amino-6-chloropyrazinone acetamide thrombin inhibitors. implementation of P3 pyridine N-Oxides to deliver an orally bioavailable series containing P1 N-Benzylamides

  摘要：

  In this manuscript we demonstrate that a modification principally directed toward the improvement of the aqueous solubility (i.e., introduction a P3 pyridine N-oxide) of the previous lead compound afforded a new series of potent orally bioavailable PI N-benzylamide thrombin inhibitors. An expedited investigation of the PI SAR with respect to oral bioavailability, plasma half-life, and human liver microsome stability revealed 5 as the best candidate for advanced evaluation. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00099-4

文献信息

• Thrombin inhibitors
  申请人：——

  公开号：US20030158218A1

  公开（公告）日：2003-08-21

  Compounds of the invention are useful in inhibiting thrombin and associated thrombotic occlusions having the following structure: 1 wherein R 1 is, for example, hydrogen, Cl, or cyano, and R 2 is, for example, hydrogen, 2

  本发明的化合物在抑制凝血酶及相关血栓闭塞方面具有以下结构的有用： 1 其中R 1 例如是氢、氯或氰基，而R 2 例如是氢、 2
• 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。
• Aminoalkyl-pyrazinones and -pyridones as thrombin inhibitors
  申请人：Graffinity Pharmaceuticals Aktiengesellschaft

  公开号：EP1526131A1

  公开（公告）日：2005-04-27

  The invention relates to compounds of formula (I) wherein A, B, X, R1, R2, G, R3, D and E have the meaning as cited in the description and the claims. Said compounds are useful as coagulants. The invention also relates to the production and use thereof as medicament.

  这项发明涉及式(I)的化合物 其中A、B、X、R1、R2、G、R3、D和E的含义如描述和权利要求中所述。所述化合物可用作凝血剂。该发明还涉及其作为药物的生产和使用。
• 4-Oxo-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrazine-6-carboxamide compounds
  申请人：Nanteuil De Guillaume

  公开号：US20050209234A1

  公开（公告）日：2005-09-22

  Compound of formula (I): wherein: represents 1-oxidopyridyl substituted by the remainder of the molecule in any one of the positions 2, 3 and 4, m and n, which may be identical or different, each represent an integer of from 1 to 3, R 1 represents hydrogen or alkyl, R 2 and R 3 , which may be identical or different, each represent an atom or group selected from hydrogen, halogen, alkyl, hydroxy, acyloxy and alkoxy, or, together with the carbon atom carrying them, form a cycloalkane having from 3 to 6 carbon atoms, R 4 and R 5 each represent hydrogen, or are adjacent and, together with the carbon atoms carrying them, form a benzo ring, Ar represents aryl or heteroaryl. Medicinal products containing the same which are useful as thrombin inhibitors.

  化合物的化学式（I）：其中：表示在位置2、3和4中的任一位置上由分子的剩余部分取代的1-氧代吡啶基，m和n，可以相同也可以不同，每个表示1到3的整数，R1表示氢或烷基，R2和R3，可以相同也可以不同，每个表示从氢、卤素、烷基、羟基、酰氧基和烷氧基中选择的原子或基团，或者与携带它们的碳原子一起形成具有3到6个碳原子的环烷烃，R4和R5分别表示氢，或相邻且与携带它们的碳原子一起形成苯环，Ar表示芳基或杂芳基。含有这种化合物的药物，其作为凝血酶抑制剂具有用处。