O-Pyridin-3-ylmethyl-hydroxylamine dihydrochloride | 35012-55-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: O-Pyridin-3-ylmethyl-hydroxylamine dihydrochloride
• 英文别名: O-(pyridin-3-ylmethyl)hydroxylamine;dihydrochloride
• CAS: 35012-55-6
• 化学式: C6H10Cl2N2O
• 分子量: 197.06
• InChiKey: OWFBOGNVJHNWMG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.32
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  48.1
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4,4-dihydroxypiperidin-1-yl)-4,4-bis-(4-fluorophenyl)butan-1-one 、 O-Pyridin-3-ylmethyl-hydroxylamine dihydrochloride 、 sodium acetate 在 乙酸乙酯 、 水 、 magnesium sulfate 、 silica 、 甲醇乙酸乙酯 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以to give 1-[4,4-bis-(4-fluorophenyl)butyryl]piperidin-4-one O-pyridin-3-ylmethyloxime (307 mg, 83%, pale yellow oil)的产率得到1-[4,4-bis-(4-fluorophenyl)butyryl]piperidin-4-one O-pyridin-3-ylmethyloxime
  参考文献：
  名称：

  OXIME COMPOUNDS AND THE USE THEREOF

  摘要：

  本发明涉及式(I)的肟化合物及其药学上可接受的盐、前药或溶剂，其中X为氢、可选取代芳基、可选取代杂环基或类似物；Y为CO、SO2、CR3R4或类似物；Z为可选取代的低烷基、可选取代的芳基或类似物；W为可选取代的低烷基或可选取代的低烯基，R3和R4各自独立地为氢、低烷基或类似物；p为0、1或2，q为0、1或2。本发明还涉及使用式(I)的化合物来治疗、预防或改善对钙通道封锁有反应的疾病，特别是N型钙通道。本发明的化合物特别适用于治疗疼痛。

  公开号：

  US20090298878A1

文献信息

• Piperazine oxime dervatives having nk-1 receptor antagonistic activity
  申请人：——

  公开号：US20040176389A1

  公开（公告）日：2004-09-09

  The present invention relates to a group of novel piperazine oxime derivatives having interesting NK-1 antagonistic activity. The invention relates to compounds of the general formula (1) wherein: X represents phenyl or pyridyl substituted with 1 or 2 substituents from the group CH 3 , CF 3 , OCH 3 , halogen, cyano and 5-CF 3 -tetrazol-1-yl; Y represents 2- or 3-indolyl, phenyl, 7-aza-indol-3-yl or 3-indazolyl, 2-naphthyl, 3-benzo[b]thiophenyl, 2-benzofuranyl, which groups may be substituted with one or more halogen or alkyl (1-3C); n has the value 0-3; m has the value 0-2; R 1 represents NH 2 , NH-alkyl (1-3C), dialkyl (1-3C)N, morpholino or morpholino substituted with one or two methyl and/or methoxymethyl groups, thiomorpholino, 1,1-dioxothiomorpholino, 2-, 3- or 4-pyridyl or 4-CH 3 -piperazinyl; R 2 is hydrogen, alkyl (1-4C) or phenyl, or R 2 together with (CH 2 ) m wherein m is 1, and the intermediate carbon nitrogen and oxygen atoms forms an isoxazolyl or a 4,5-dihydroisoxazolyl group; R 3 and R 4 independently represent hydrogen or methyl, or R 3 and R 4 together are oxygen. The invention also relates to a method for the preparation of the novel compounds, and to pharmaceutical compositions comprising compounds with formula (1) as an active ingredient and the use of these compounds for the treatment of disorders in which neurokinin-1 receptors are involved. 1

  本发明涉及一组新型哌嗪肟衍生物，具有有趣的NK-1拮抗活性。该发明涉及一般式（1）的化合物，其中：X代表苯基或吡啶基，被1或2个取代基取代，所述取代基来自CH3、CF3、O 、卤素、氰基和5- -四唑-1-基；Y代表2-或3-吲哚基、苯基、7-氮杂吲哚-3-基或3-吲唑基、2-萘基、3-苯并[b]噻吩基、2-苯并呋喃基，这些基团可以被一个或多个卤素或烷基（1-3C）取代；n的值为0-3；m的值为0-2；R1代表NH2、NH-烷基（1-3C）、二烷基（1-3C）N、吗啉基或被一个或两个甲基和/或甲氧基甲基取代的吗啉基、硫代吗啉基、1,1-二氧硫代吗啉基、2-、3-或4-吡啶基或4- -哌嗪基；R2是氢、烷基（1-4C）或苯基，或R2与(CH2)m（其中m为1）一起，中间的碳氮和氧原子形成异噁唑基或4,5-二氢异噁唑基；R3和R4独立地代表氢或甲基，或R3和R4一起代表氧。该发明还涉及一种制备新化合物的方法，以及包含式（1）化合物作为活性成分的药物组合物和这些化合物用于治疗涉及神经激肽-1受体的疾病的用途。
• New mandelic acid derivatives and their use as thrombin inhibitors
  申请人：Inghardt Tord

  公开号：US20070218136A1

  公开（公告）日：2007-09-20

  There is provided a compound of formula (I) wherein R a , R 1 , R 2 , Y and R 3 have meanings given in the description and pharmaceutically-acceptable derivatives (including prodrugs) thereof, which compounds and derivatives are useful as, or are useful as prodrugs of, competitive inhibitors of trypsin-like proteases, such as thrombin, and thus, in particular, in the treatment of conditions where inhibition of thrombin is required (e.g., thrombosis) or as anticoagulants.

  提供了一种化合物，其化学式为（I），其中Ra，R1，R2，Y和R3具有描述中给出的含义以及其药物可接受的衍生物（包括前药），这些化合物和衍生物可用作竞争性蛋白酶抑制剂，如凝血酶，因此特别用于治疗需要抑制凝血酶的情况（例如血栓形成）或作为抗凝剂。
• Mandelic acid derivatives and their use as thrombin inhibitors
  申请人：Inghardt Tord

  公开号：US20080090800A1

  公开（公告）日：2008-04-17

  There is provided a compound of formula (I) wherein R a , R 1 , R 2 , Y and R 3 have meanings given in the description and pharmaceutically-acceptable derivatives (including prodrugs) thereof, which compounds and derivatives are useful as, or are useful as prodrugs of, competitive inhibitors of trypsin-like proteases, such as thrombin, and thus, in particular, in the treatment of conditions where inhibition of thrombin is required (e.g., thrombosis) or as anticoagulants.

  提供了一个化合物的公式（I），其中Ra，R1，R2，Y和R3具有描述中给出的含义，以及其药学上可接受的衍生物（包括前药），这些化合物和衍生物可用作具有竞争性的胰蛋白酶类蛋白酶抑制剂的作用，例如凝血酶，因此特别适用于治疗需要抑制凝血酶的情况（例如血栓形成）或作为抗凝剂。
• NEW MANDELIC ACID DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS
  申请人：INGHARDT Tord

  公开号：US20100087651A1

  公开（公告）日：2010-04-08

  There is provided a compound of formula (I) wherein R a , R 1 , R 2 , Y and R 3 have meanings given in the description and pharmaceutically-acceptable derivatives (including prodrugs) thereof, which compounds and derivatives are useful as, or are useful as prodrugs of, competitive inhibitors of trypsin-like proteases, such as thrombin, and thus, in particular, in the treatment of conditions where inhibition of thrombin is required (e.g., thrombosis) or as anticoagulants.

  提供了一个式子为（I）的化合物，其中Ra，R1，R2，Y和R3具有描述中给出的含义，以及其药学上可接受的衍生物（包括前药），这些化合物和衍生物有用作为或有用作为蛋白酶类似物的竞争性抑制剂，如凝血酶，并因此在治疗需要抑制凝血酶的情况（例如血栓形成）或作为抗凝剂方面特别有用。
• Octahydronaphthalene oxime derivatives for cholesterol synthesis inhibition, processes for their preparation and compositions containing them
  申请人：Sankyo Company Limited

  公开号：EP0314435A2

  公开（公告）日：1989-05-03

  Compounds of formula (I): [in which: R represents hydrogen, methyl or hydroxy; X represents an alkyl, alkenyl, cycloalkyl, aryl, aralkyl, or heterocyclic group; A represents a single bond, or an alkylene, alkenylene, alkynylene or alkadienylene group; Y represents hydrogen, or an aryl, cycloalkyl or heterocyclic group] have valuable antihypercholesteremic activities and may be used in the treatment of disorders arising from a blood cholesterol imbalance in humans and other animals. They may be prepared by introducing the group =NO-A-Y in place of an oxygen atom at the 4-position or introducing the group -O-CO-X in place of a hydroxy group at the 1-position in a corresponding compound in which the hydroxy group at the 16 position is protected and deprotecting that group.

  式(I)化合物： 其中R代表氢、甲基或羟基；X代表烷基、烯基、环烷基、芳基、芳烷基或杂环基团；A代表单键或亚烷基、亚烯基、亚炔基或烷二烯基；Y代表氢或芳基、环烷基或杂环基团]具有重要的抗胆固醇胰岛素活性，可用于治疗人类和其他动物血液中胆固醇失衡引起的疾病。可以通过在 4 位引入基团 =NO-A-Y 代替氧原子，或在 16 位羟基受到保护的相应化合物中引入基团 -O-CO-X 代替 1 位羟基并对该基团进行脱保护来制备这些化合物。