(3S)-ethyl 1-(2-hydroxy-2-(4-((Z)-N'-hydroxycarbamimidoyl)phenyl)ethyl)piperidine-3-carboxylate | 1265750-15-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: (3S)-ethyl 1-(2-hydroxy-2-(4-((Z)-N'-hydroxycarbamimidoyl)phenyl)ethyl)piperidine-3-carboxylate
• 英文别名: (3S)-ethyl 1-(2-hydroxy-2-(4-( N'-hydroxycarbamimidoyl)phenyl)ethyl)piperidine-3-carboxylate；ethyl (3S)-1-[2-hydroxy-2-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]ethyl]piperidine-3-carboxylate
• CAS: 1265750-15-9
• 化学式: C₁₇H₂₅N₃O₄
• 分子量: 335.403
• InChiKey: ULFIKRNLJZDLBB-MLCCFXAWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  108
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-isobutyl-4-(trifluoromethyl)isoxazole-5-carbonyl fluoride 、 (3S)-ethyl 1-(2-hydroxy-2-(4-((Z)-N'-hydroxycarbamimidoyl)phenyl)ethyl)piperidine-3-carboxylate 在 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 96.0h， 以54.5%的产率得到(3S)-ethyl 1-(2-hydroxy-2-(4-(5-(5-isobutyl-4-(trifluoromethyl)isoxazol-3-yl)-1,2,4-oxadiazol-3-yl)phenyl)ethyl)piperidine-3-carboxylate
  参考文献：
  名称：

  [EN] SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS
  [FR] AGONISTES DES RÉCEPTEURS SPHINGOSINE-1-PHOSPHATE

  摘要：

  揭示了Formula (I)的化合物，或其立体异构体或药用可接受的盐，其中：A为Formula (II)，Q为取代的5-成员单环杂芳基团；W为CH2、O或NH；而R1、R2、R3、R4、R5、R6、m、n、t和x在此处有定义。还揭示了将这些化合物用作G蛋白偶联受体S1P1的选择性激动剂的方法，以及包含这些化合物的药物组合物。这些化合物在治疗、预防或减缓多种治疗领域的疾病或紊乱方面具有用处，如自身免疫疾病和血管疾病。

  公开号：

  WO2011017578A1

文献信息

• [EN] SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS<br/>[FR] COMPOSÉS 3-PHÉNYL-1,2,4-OXADIAZOLE SUBSTITUÉS
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2012012477A1

  公开（公告）日：2012-01-26

  Disclosed are compounds of Formula (I): (I) or stereoisomers, salts, or prodrugs thereof, wherein: (i) R1 and R2 are independently C1-C4 alkyl, or (ii) R1 and R2 together with the carbon atom to which they are attached, form a cyclic group; and Q is H, C1-6alkyl, phenyl or 5- to 6-membered heteroaryl substituted with zero to 3 substituents, and G is defined herein. Also disclosed are method of using such compounds as selective agonists for G protein-coupled receptor S1P1, and pharmaceutical compositions comprising such compounds. There compounds are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as autoimmune diseases and chronic inflammatory disease.

  本文揭示了Formula (I)的化合物：(I)或其立体异构体、盐或前药，其中：(i) R1和R2独立地为C1-C4烷基，或者(ii) R1和R2与它们连接的碳原子一起形成一个环状基团；Q为H，C1-6烷基，苯基或带有零至3个取代基的5-至6-成员杂环芳基；G在此处有定义。还揭示了使用这些化合物作为G蛋白偶联受体S1P1的选择性激动剂的方法，以及包含这些化合物的药物组合物。这些化合物在治疗、预防或减缓多种治疗领域的疾病或疾病的进展方面具有用途，例如自身免疫疾病和慢性炎症性疾病。
• HETEROCYCLIC COMPOUNDS
  申请人：Gilmore John L.

  公开号：US20110190255A1

  公开（公告）日：2011-08-04

  Disclosed are compounds of Formula (I) or a stereoisomer or a pharmaceutically acceptable salt thereof, wherein: A is Q is a substituted 5-membered monocyclic heteroaryl group; W is CH 2 , O, or NH; and R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , m, n, t, and x are defined herein. Also disclosed are methods of using such compounds as selective agonists for G protein-coupled receptor S1P 1 , and pharmaceutical compositions comprising such compounds. These compounds are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as autoimmune diseases and vascular disease.

  本发明涉及化合物I式或其立体异构体或其药学上可接受的盐，其中：A为Q为取代的5-成员单环杂芳基；W为CH2、O或NH；R1、R2、R3、R4、R5、R6、m、n、t和x在此定义。本发明还涉及使用这些化合物作为选择性G蛋白偶联受体S1P1的激动剂的方法，以及包含这些化合物的制药组合物。这些化合物在治疗、预防或减缓多种治疗领域的疾病或疾病的进展方面是有用的，如自身免疫性疾病和血管疾病。
• SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS
  申请人：Das Jagabandhu

  公开号：US20130158001A1

  公开（公告）日：2013-06-20

  Disclosed are compounds of Formula (I): (I) or stereoisomers, salts, or prodrugs thereof, wherein: (i) R1 and R2 are independently C 1 -C 4 alkyl, or (ii) R 1 and R 2 together with the carbon atom to which they are attached, form a cyclic group; and Q is H, C 1-6 alkyl, phenyl or 5- to 6-membered heteroaryl substituted with zero to 3 substituents, and G is defined herein. Also disclosed are method of using such compounds as selective agonists for G protein-coupled receptor S1P1, and pharmaceutical compositions comprising such compounds. There compounds are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as autoimmune diseases and chronic inflammatory disease.

  本发明涉及式(I)的化合物：(I)或其立体异构体、盐或前药，其中：(i) R1和R2独立地是C1-C4烷基，或者(ii) R1和R2与它们连接的碳原子一起形成一个环状基团；Q为H、C1-6烷基、苯基或5-到6-成员杂环芳基取代零至3个取代基，G在此定义。还公开了使用这些化合物作为选择性G蛋白偶联受体S1P1激动剂的方法，以及包含这些化合物的制药组合物。这些化合物在治疗、预防或减缓多种治疗领域的疾病或疾病中是有用的，例如自身免疫性疾病和慢性炎症性疾病。
• Heterocyclic compounds
  申请人：Gilmore John L.

  公开号：US08399451B2

  公开（公告）日：2013-03-19

  Disclosed are compounds of Formula (I) or a stereoisomer or a pharmaceutically acceptable salt thereof, wherein: A is Q is a substituted 5-membered monocyclic heteroaryl group; W is CH2, O, or NH; and R1, R2, R3, R4, R5, R6, m, n, t, and x are defined herein. Also disclosed are methods of using such compounds as selective agonists for G protein-coupled receptor S1P1, and pharmaceutical compositions comprising such compounds. These compounds are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as autoimmune diseases and vascular disease.

  本发明涉及式(I)化合物或其立体异构体或其药学上可接受的盐，其中：A是Q是取代的5-成员单环杂芳基基团；W是CH2、O或NH；R1、R2、R3、R4、R5、R6、m、n、t和x在此被定义。本发明还涉及使用这些化合物作为选择性G蛋白偶联受体S1P1激动剂的方法，以及包含这些化合物的药物组成物。这些化合物在多种治疗领域中有用，如自身免疫病和血管疾病的治疗、预防或减缓进展。
• Substituted 3-phenyl-1,2,4-Oxadiazole compounds
  申请人：Das Jagabandhu

  公开号：US08822510B2

  公开（公告）日：2014-09-02

  Disclosed are compounds of Formula (I): (I) or stereoisomers, salts, or prodrugs thereof, wherein: (i) R1 and R2 are independently C1-C4 alkyl, or (ii) R1 and R2 together with the carbon atom to which they are attached, form a cyclic group; and Q is H, C1-6alkyl, phenyl or 5- to 6-membered heteroaryl substituted with zero to 3 substituents, and G is defined herein. Also disclosed are method of using such compounds as selective agonists for G protein-coupled receptor S1P1, and pharmaceutical compositions comprising such compounds. There compounds are useful in treating, preventing, or slowing the progression of diseases or disorders in a variety of therapeutic areas, such as autoimmune diseases and chronic inflammatory disease.

  本发明涉及式（I）的化合物：（I）或其立体异构体，盐或前药，其中：（i）R1和R2分别是C1-C4烷基，或（ii）R1和R2与它们所连接的碳原子形成一个环状基团；Q为H，C1-6烷基，苯基或0-3个取代基取代的5-至6-成员杂环芳基，G在此定义。本发明还涉及使用这些化合物作为选择性G蛋白偶联受体S1P1激动剂的方法，以及包括这些化合物的制药组合物。这些化合物在多种治疗领域中用于治疗、预防或减缓疾病或障碍的进展，如自身免疫疾病和慢性炎症性疾病。