4-(4-phenoxyphenyl)-1,2,3,6-tetrahydropyridine | 171350-05-3

• 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: 4-(4-phenoxyphenyl)-1,2,3,6-tetrahydropyridine
• CAS: 171350-05-3
• 化学式: C₁₇H₁₇NO
• 分子量: 251.328
• InChiKey: ZJXLIAFMDZHNNW-UHFFFAOYSA-N

物化性质

• 沸点：
  382.9±42.0 °C(Predicted)
• 密度：
  1.099±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(4-phenoxyphenyl)-1,2,3,6-tetrahydropyridine 在 palladium-carbon sodium hydroxide 、 溶剂黄146 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 以66%的产率得到4-(4-苯氧基苯基)-哌啶
  参考文献：
  名称：

  Arylpiperidine and arylpiperazine derivatives and medicament containing

  摘要：

  该化合物的化学式（I）或其盐或含有相同化合物的药物##STR1##其中，A和B代表羰基或磺酰基，m和p不同，分别代表0或1，R.sup.1和R.sup.2可以相同也可以不同，分别代表氢原子，未取代或取代的烷基，未取代或取代的芳基，未取代或取代的芳基烷基，含氮的未取代或取代的杂环基或含氧的未取代或取代的杂环基，或者R.sup.1和R.sup.2连同它们连接的氮原子，可以形成未取代或取代的杂环基，但是当B是磺酰基时，R.sup.2不代表氢原子，n是1到6的整数，X代表亚甲基或氧原子，E和Y可以相同也可以不同，分别代表氢原子，卤素原子，烷氧基，或者可以被卤素原子取代的烷基，点线表示键的存在或不存在，当点线表示键存在时，Z代表碳原子，当点线表示键不存在时，Z代表CH或氮原子。

  公开号：

  US05723475A1
• 作为产物：
  描述：

  4-苯氧基苯基硼酸 在 盐酸 、 palladium diacetate 、 sodium hydroxide 作用下， 生成 4-(4-phenoxyphenyl)-1,2,3,6-tetrahydropyridine
  参考文献：
  名称：

  Design and synthesis of orally active inhibitors of TNF synthesis as anti-rheumatoid arthritis drugs

  摘要：

  A novel series of TNF inhibitors was identified based on the screening of existing MMP inhibitor libraries. Further SAR optimization led to the discovery of a novel lead compound. Its synthesis, efficacy in experimental animal models, and pharmacokinetic data are discussed. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.08.076

文献信息

• Inhibitors of protein farnesyltransferase and squalene synthase
  申请人：Abbott Laboratories

  公开号：US05631401A1

  公开（公告）日：1997-05-20

  The present invention provides a compound of the formula ##STR1## or a pharmaceutically acceptable salt thereof, which are useful in inhibiting protein farnesyltransferase and the farnesylation of the oncogene protein Ras or inhibiting de novo squalene production resulting in the inhibition of cholesterol biosynthesis, processes for the preparation of the compounds of the invention in addition to intermediates useful in these processes, a pharmaceutical composition, and to methods of using such compounds.

  本发明提供了一种化合物，其化学式为##STR1##或其药用可接受的盐，该化合物在抑制蛋白质法尼基转移酶和致癌基因蛋白Ras的法尼基化或抑制新生角鲨烯产生以致使胆固醇生物合成受到抑制方面具有用处，还提供了制备本发明化合物的方法，以及这些方法中有用的中间体，一种药物组合物和使用这种化合物的方法。
• Arylpiperidinopropanol and arylpiperazinopropanol derivatives and pharmaceuticals containing the same
  申请人：Suntory Limited

  公开号：US06407099B1

  公开（公告）日：2002-06-18

  A compound having the formula (I) or its salt, hydrate, hydrate salt or solvate: wherein R1 to R4 independently represent H, halogen, OH, alkoxy, optionally substituted alkyl, aryl, or aralkyl group, R5 represents H, optionally substituted alkyl, aryl, or aralkyl group, E1 represents O, S, or —NR6, where R6 represents H, an optionally substituted alkyl, aryl, or aralkyl group, E2 represents O, S, or —NR7, where R7 represents H, an optionally substituted alkyl, aryl, or aralkyl group, A represents CH, C(OH), or N, X represents H, halogen, alkoxy, or an optionally substituted alkyl group, and Q represents an optionally substituted phenyl group, phenoxy, phenylmethyl, or cycloalkyloxy group, where when E1 represents O or S, E2 does not represent O or S, which has an action of suppressing the cytotoxic Ca2+ overload and lipid peroxidation and effective for pharmaceutical preparation for the alleviation and treatment of symptoms due to ischemic diseases, etc.

  一种具有化学式（I）或其盐、水合物、水合盐或溶剂络合物的化合物：其中R1至R4独立地代表H、卤素、OH、烷氧基、可选择地取代的烷基、芳基或芳基烷基，R5代表H、可选择地取代的烷基、芳基或芳基烷基，E1代表O、S或—NR6，其中R6代表H、可选择地取代的烷基、芳基或芳基烷基，E2代表O、S或—NR7，其中R7代表H、可选择地取代的烷基、芳基或芳基烷基，A代表CH、C(OH)或N，X代表H、卤素、烷氧基或可选择地取代的烷基，Q代表可选择地取代的苯基、苯氧基、苄基苯基或环烷氧基，其中当E1代表O或S时，E2不代表O或S，具有抑制细胞毒性Ca2+超载和脂质过氧化作用，并对缓解和治疗因缺血性疾病等症状而进行的药物制剂具有有效作用。
• Arylpiperidine and arylpiperazine derivatives and medicament containing
  申请人：Suntory Limited

  公开号：US05723475A1

  公开（公告）日：1998-03-03

  The compound of the formula (I) or its salt or a medicament containing the same ##STR1## wherein, A and B represent a carbonyl group or sulfonyl group, m and p are different and represent 0 or 1, R.sup.1 and R.sup.2 may be the same or different from each other and represent a hydrogen atom, an unsubstituted or substituted alkyl group, an unsubstituted or substituted aryl group, an unsubstituted or substituted aralkyl group, an unsubstituted or substituted heterocyclic group containing nitrogen or an unsubstituted or substituted heterocyclic group containing oxygen, or R.sup.1 and R.sup.2, taken together with the nitrogen atom to which they are linked, may form an unsubstituted or substituted heterocyclic group, provided that when B is a sulfonyl group, R.sup.2 does not represent a hydrogen atom, n is an integer of 1 to 6, X represents a methylene group or an oxygen atom, E and Y may be the same or different from each other and represent a hydrogen atom, a halogen atom, an alkoxy group, or an alkyl group which may be substituted by a halogen atom the dotted line shows the presence or absence of a bond, when said dotted line shows the presence of a bond, Z represents a carbon atom, and when said dotted line shows the absence of a bond, Z represents CH or a nitrogen atom.

  该化合物的化学式（I）或其盐或含有相同化合物的药物##STR1##其中，A和B代表羰基或磺酰基，m和p不同，分别代表0或1，R.sup.1和R.sup.2可以相同也可以不同，分别代表氢原子，未取代或取代的烷基，未取代或取代的芳基，未取代或取代的芳基烷基，含氮的未取代或取代的杂环基或含氧的未取代或取代的杂环基，或者R.sup.1和R.sup.2连同它们连接的氮原子，可以形成未取代或取代的杂环基，但是当B是磺酰基时，R.sup.2不代表氢原子，n是1到6的整数，X代表亚甲基或氧原子，E和Y可以相同也可以不同，分别代表氢原子，卤素原子，烷氧基，或者可以被卤素原子取代的烷基，点线表示键的存在或不存在，当点线表示键存在时，Z代表碳原子，当点线表示键不存在时，Z代表CH或氮原子。
• Arylipiperdinopropanol and arylipiperazinopropanol derivatives and pharmaceuticals containing the same
  申请人：Annoura Hirokazu

  公开号：US20050101610A1

  公开（公告）日：2005-05-12

  A compound having the formula (I) or its salt, hydrate, hydrate salt or solvate: wherein R 1 to R 4 independently represent H, halogen, OH, alkoxy, optionally substituted alkyl, aryl, or aralkyl group, R 5 represents H, optionally substituted alkyl, aryl, or aralkyl group, E 1 represents O, S, or —NR 6 , where R 6 represents H, an optionally substituted alkyl, aryl, or aralkyl group, E 2 represents O, S, or —NR 7 , where R 7 represents H, an optionally substituted alkyl, aryl, or aralkyl group, A represents CH, C(OH), or N, X represents H, halogen, alkoxy, or an optionally substituted alkyl group, and Q represents an optionally substituted phenyl group, phenoxy, phenylmethyl, or cycloalkyloxy group, where when E 1 represents O or S, E 2 does not represent O or S, which has an action of suppressing the cytotoxic Ca 2+ overload and lipid peroxidation and effective for pharmaceutical preparation for the alleviation and treatment of symptoms due to ischemic diseases, etc.

  化合物具有以下公式(I)或其盐，水合物，水合盐或溶剂化物： 其中，R1至R4独立地表示H，卤素，OH，烷氧基，可选择取代的烷基，芳基或芳基烷基，R5表示H，可选择取代的烷基，芳基或芳基烷基，E1表示O，S或-NR6，其中R6表示H，可选择取代的烷基，芳基或芳基烷基，E2表示O，S或-NR7，其中R7表示H，可选择取代的烷基，芳基或芳基烷基，A表示CH，C（OH）或N，X表示H，卤素，烷氧基或可选择取代的烷基，Q表示可选择取代的苯基，苯氧基，苯甲基或环烷氧基，其中当E1表示O或S时，E2不表示O或S，该化合物具有抑制细胞毒性Ca2+过载和脂质过氧化作用，并且对于缓解和治疗缺血性疾病症状等方面的制药制剂具有有效作用。
• Arylpiperidinopropanol and arylpiprazinopropanol derivatives and pharmaceuticals containing the same
  申请人：Annoura Hirokazu

  公开号：US06838470B2

  公开（公告）日：2005-01-04

  A compound having the formula (I) or its salt, hydrate, hydrate salt or solvate: wherein R 1 to R 4 independently represent H, halogen, OH, alkoxy, optionally substituted alkyl, aryl, or aralkyl group, R 5 represents H, optionally substituted alkyl, aryl, or aralkyl group, E 1 represents O, S, or —NR 6 , where R 6 represents H, an optionally substituted alkyl, aryl, or aralkyl group, E 2 represents O, S, or —NR 7 , where R 7 represents H, an optionally substituted alkyl, aryl, or aralkyl group, A represents CH, C(OH), or N, X represents H, halogen, alkoxy, or an optionally substituted alkyl group, and Q represents an optionally substituted phenyl group, phenoxy, phenylmethyl, or cycloalkyloxy group, where when E 1 represents O or S, E 2 does not represent O or S, which has an action of suppressing the cytotoxic Ca 2+ overload and lipid peroxidation and effective for pharmaceutical preparation for the alleviation and treatment of symptoms due to ischemic diseases, etc.

  化合物具有公式（I）或其盐，水合物，水合盐或溶剂化物： 其中，R1至R4独立地表示H，卤素，OH，烷氧基，可选地取代的烷基，芳基或芳基烷基，R5表示H，可选地取代的烷基，芳基或芳基烷基，E1表示O，S或—NR6，其中R6表示H，可选地取代的烷基，芳基或芳基烷基，E2表示O，S或—NR7，其中R7表示H，可选地取代的烷基，芳基或芳基烷基，A表示CH，C（OH）或N，X表示H，卤素，烷氧基或可选地取代的烷基，Q表示可选地取代的苯基，苯氧基，苯基甲基或环烷氧基，其中当E1表示O或S时，E2不表示O或S，具有抑制细胞毒性Ca2+超载和脂质过氧化作用，并且对缓解和治疗缺血性疾病症状等方面的制药制剂有效。