diethyl (6-cyanopyridin-3-yl)methylphosphonate | 1268245-85-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物
• 英文名称: diethyl (6-cyanopyridin-3-yl)methylphosphonate
• 英文别名: diethyl P-[(6-cyano-3-pyridinyl)methyl]phosphonate；5-(Diethylphosphonomethyl)-2-cyanopyridine；5-(diethoxyphosphorylmethyl)pyridine-2-carbonitrile
• CAS: 1268245-85-7
• 化学式: C₁₁H₁₅N₂O₃P
• 分子量: 254.225
• InChiKey: XUZMEVUWBIOLEY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  72.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  diethyl (6-cyanopyridin-3-yl)methylphosphonate 在 palladium diacetate sodium hydride 作用下， 以 四氢呋喃 、 乙醚 、 mineral oil 为溶剂， 反应 0.5h， 生成 5-[2-[4-[Tert-butyl(dimethyl)silyl]oxy-2-chlorophenyl]cyclopropyl]pyridine-2-carbonitrile
  参考文献：
  名称：

  [EN] NOVEL FXR (NR1H4 ) BINDING AND ACTIVITY MODULATING COMPOUNDS
  [FR] NOUVEAUX COMPOSÉS SE LIANT AU FXR (NR1 H4) ET MODULANT SON ACTIVITÉ

  摘要：

  本发明涉及结合NR1 H4受体（FXR）并作为NR1 H4受体（FXR）激动剂的化合物。该发明还涉及利用这些化合物制备药物用于通过这些化合物结合所述核受体治疗疾病和/或症状，并涉及这些化合物的合成过程。

  公开号：

  WO2011020615A1
• 作为产物：
  描述：

  2-氰基-5-甲基吡啶 在 过氧化苯甲酰 N-溴代丁二酰亚胺(NBS) 作用下， 以 四氯化碳 为溶剂， 反应 6.0h， 生成 diethyl (6-cyanopyridin-3-yl)methylphosphonate
  参考文献：
  名称：

  [EN] NOVEL FXR (NR1H4 ) BINDING AND ACTIVITY MODULATING COMPOUNDS
  [FR] NOUVEAUX COMPOSÉS SE LIANT AU FXR (NR1 H4) ET MODULANT SON ACTIVITÉ

  摘要：

  本发明涉及结合NR1 H4受体（FXR）并作为NR1 H4受体（FXR）激动剂的化合物。该发明还涉及利用这些化合物制备药物用于通过这些化合物结合所述核受体治疗疾病和/或症状，并涉及这些化合物的合成过程。

  公开号：

  WO2011020615A1

文献信息

• Novel FXR (NR1H4) binding and activity modulating compounds
  申请人：Phenex Pharmaceuticals AG

  公开号：EP2289883A1

  公开（公告）日：2011-03-02

  The present invention relates to compounds which bind to the NR1H4 receptor (FXR) and act as agonists of the NR1H4 receptor (FXR). The invention further relates to the use of the compounds for the preparation of a medicament for the treatment of diseases and/or conditions through binding of said nuclear receptor by said compounds, and to a process for the synthesis of said compounds.

  本发明涉及与NR1H4受体（FXR）结合并作为NR1H4受体（FXR）激动剂的化合物。该发明还涉及利用这些化合物制备药物以治疗疾病和/或病况，通过这些化合物与核受体结合，以及这些化合物的合成过程。
• [EN] ANALOGUES OF PENTAMIDINE AND USES THEREFOR<br/>[FR] ANALOGUES DE LA PENTAMIDINE ET UTILISATIONS ASSOCIÉES
  申请人：AURANSA INC

  公开号：WO2020132636A1

  公开（公告）日：2020-06-25

  The present disclosure provides a group of aromatic (e.g., pyridinyl, pyrimidinyl, pyrazinyl, or phenyl) diamidine analogs and pharmaceutically acceptable salts that are useful for treating a proliferative disease. The proliferative disease may include solid cancer or blood cancer. Compositions, methods of synthesizing the same and methods for treating various cancer using the analogs are disclosed herein. The present disclosure also provides pharmaceutical formulations comprising at least one of the compounds with a pharmaceutically acceptable carrier, diluent or excipient therefor.

  本公开提供一组芳香族（例如吡啶基，嘧啶基，吡嗪基或苯基）二胺类似物和药学上可接受的盐，用于治疗增生性疾病。增生性疾病可能包括实体癌或血液癌。本文介绍了使用类似物治疗各种癌症的组合物、合成方法以及治疗方法。本公开还提供至少含有一种化合物的药物配方，其中包含药学上可接受的载体、稀释剂或辅料。
• Certain 2-carboxypiperidyl-alkylene phosphonic acids and esters thereof
  申请人：Ciba-Geigy Corporation

  公开号：US04906621A1

  公开（公告）日：1990-03-06

  The present invention is concerned with the phosphonic acids of formula I ##STR1## wherein one or both of the acidic hydroxy groups of the phosphonic acid moiety may be functionalized in form of pharmaceutically acceptable mono- or di- esters; wherein Y represents optionally substituted 2-carboxypyrrolidinyl, 2-carboxy-2,5-dihydropyrrolyl, 2-carboxy-1,2,3,6-tetrahydropyridinyl, 2-carboxy-1,2,5,6-tetrahydropyridinyl, 2-carboxypiperidinyl, 2-carboxytetrahydroquinolinyl or 2-carboxyperhydroquinolinyl, 2-carboxy-2,3-dihydroindolyl or 2-carboxyperhydroindolyl as described herein, and in each of which the carboxy group may be functionalized in form of a pharmaceutically acceptable ester or amide; A represents a direct bond, lower alkenylene, lower alkylidene or lower alkylene provided that A does not represent a direct bond when Y represents 2-carboxypyrrolidinyl; and pharmaceutically acceptable salts thereof; which are useful for the treatment of nervous system disorders in mammals and as antagonists of the N-methyl-D-aspartate sensitive excitatory amino acid receptor.

  本发明涉及公式I的膦酸：##STR1## 其中，膦酸基团的一个或两个酸性羟基可以以药学上可接受的单酯或双酯的形式进行官能化；其中，Y代表选择性取代的2-羧基吡咯烷基、2-羧基-2,5-二氢吡咯基、2-羧基-1,2,3,6-四氢吡啶基、2-羧基-1,2,5,6-四氢吡啶基、2-羧基哌啶基、2-羧基四氢喹啉基或2-羧基过氢喹啉基，2-羧基-2,3-二氢吲哚基或2-羧基过氢吲哚基，其中每个羧基可以以药学上可接受的酯或酰胺的形式进行官能化；A代表直接键，低烯基，低基亚烷基或低基亚基烷基，但当Y代表2-羧基吡咯烷基时，A不代表直接键；以及其药学上可接受的盐；它们对哺乳动物的神经系统疾病的治疗和作为N-甲基-D-天门冬氨酸敏感性兴奋性氨基酸受体的拮抗剂是有用的。
• Certain phosphonic acid quinoline-2-carboxylic acids, esters or amides
  申请人：Ciba-Geigy Corporation

  公开号：US05217963A1

  公开（公告）日：1993-06-08

  The present invention is concerned with the phosphonic acids of formula I ##STR1## wherein one or both of the acidic hydroxy groups of the phosphonic acid moiety may be functionalized in form of pharmaceutically acceptable mono- or di- esters; wherein Y represents optionally substituted 2-carboxytetrahydroquinolinyl or 2-carboxyperhydroquinolinyl, and in each of which the carboxy group may be functionalized in form of a pharmaceutically acceptable ester or amide; A represents a direct bond, lower alkenylene, lower alkylidene or lower alkylene; and pharmaceutically acceptable salts thereof; which are useful for the treatment of nervous system disorders in mammals and as antagonists of the N-methyl-D-aspartate sensitive excitatory amino acid receptor.

  本发明涉及式I的膦酸：##STR1## 其中膦酸基团的一个或两个酸性羟基可以以药学上可接受的单酯或双酯的形式进行官能化；其中Y代表可以选择取代的2-羧基四氢喹啉基或2-羧基戊二氢喹啉基，其中羧基可以以药学上可接受的酯或酰胺的形式进行官能化；A代表直接键，低烯基，低烷基亚甲基或低烷基；以及其药学上可接受的盐；它们对哺乳动物的神经系统疾病治疗和作为N-甲基-D-天门冬氨酸敏感性兴奋性氨基酸受体的拮抗剂是有用的。
• Certain phosphonic acids and derivatives useful for the treatment of
  申请人：Ciba-Geigy Corporation

  公开号：US05057506A1

  公开（公告）日：1991-10-15

  The present invention is concerned with the phosphonic acids of formula I ##STR1## wherein one or both of the acidic hydroxy groups of the phosphonic acid moiety may be functionalized in form of pharmaceutically acceptable mono- or di- esters; wherein Y represent optionally substituted 2-carboxypyrrolidinyl, 2-carboxy-2,5-dihydropyrrolyl, 2-carboxy-1,2,3,6-tetrahydropyridinyl, 2-carboxy-1,2,5,6-tetrahydropyridinyl, 2-carboxypiperidinyl, 2-carboxyetrahydroquinolinyl or 2-carboxyperhydroquinolinyl, 2-carboxyl-2,3-dihydroindolyl or 2-carboxyperhydroindolyl as described herein, and in each of which the carboxy group may be functionalized in form of a pharmaceutical acceptable ester or amide; A represents a direct bond, lower alkenylene, lower alkylidene or lower alkylene provided that A does not represent a direct bond when Y represents 2-carboxypyrolidinyl; and pharmaceutically acceptable salts thereof; which are useful for the treatment of nervous system disorders in mammals and as antagonists of the N-methyl-D-aspartate sensitive excitatory amino acid receptor.

  本发明涉及式I的膦酸，其中膦酸基团中的一个或两个酸性羟基可以以药学上可接受的单酯或二酯的形式进行官能化；其中Y代表可选择取代的2-羧基吡咯烷基，2-羧基-2,5-二氢吡咯基，2-羧基-1,2,3,6-四氢吡啶基，2-羧基-1,2,5,6-四氢吡啶基，2-羧基哌啶基，2-羧基四氢喹啉基或2-羧基过氢喹啉基，2-羧基-2,3-二氢吲哚基或2-羧基过氢吲哚基，如本文所述，在其中羧基可以以药学可接受的酯或酰胺的形式进行官能化；A代表直接键，较低的烯基，较低的烷基亚甲基或较低的烷基，但当Y代表2-羧基吡咯烷基时，A不代表直接键；以及其药学可接受的盐；它们对哺乳动物的神经系统疾病的治疗和作为N-甲基-D-天门冬氨酸敏感性兴奋性氨基酸受体的拮抗剂是有用的。