(3S)-3-methylpiperidine (R)-mandelate | 870997-86-7

• 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)-3-methylpiperidine (R)-mandelate
• 英文别名: (S)-3-Methylpiperidine (R)-2-hydroxy-2-phenylacetate；(2R)-2-hydroxy-2-phenylacetic acid;(3S)-3-methylpiperidine
• CAS: 870997-86-7
• 化学式: C₆H₁₃N*C₈H₈O₃
• 分子量: 251.326
• InChiKey: URNSREQLJROASC-MNZRUBAUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.81
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  69.6
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  8-[4-(3-chloropropoxy)phenyl]-3-phenyl-1-oxa-3,8-diazaspiro[4,5]decan-2-one 、 (3S)-3-methylpiperidine (R)-mandelate 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以43%的产率得到8-[4-(3-(3S)-methylpiperidin-1-ylpropoxy)phenyl]-3-phenyl-1-oxa-3,8-diazaspiro[4,5]decan-2-one
  参考文献：
  名称：

  NOVEL PIPERIDINE DERIVATIVE

  摘要：

  公开号：

  EP1892241B1
• 作为产物：
  描述：

  3-甲基哌啶 生成 (3S)-3-methylpiperidine (R)-mandelate
  参考文献：
  名称：

  NOVEL PIPERIDINE DERIVATIVE

  摘要：

  公开号：

  EP1892241B1

文献信息

• Inhibition of <i>Plasmodium falciparum</i> Lysyl‐tRNA Synthetase via a Piperidine‐Ring Scaffold Inspired Cladosporin Analogues
  作者：Palak Babbar、Mizuki Sato、Yogavel Manickam、Siddhartha Mishra、Karl Harlos、Swati Gupta、Suhel Parvez、Haruhisa Kikuchi、Amit Sharma

  DOI：10.1002/cbic.202100212

  日期：2021.7.15

  cladosporin inhibitors against Plasmodium falciparum lysyl-tRNA synthetase (PfKRS). The series retains selectivity against its human counterpart but it was observed that replacing the tetrahydropyran moiety by piperidine reduces potency. Co-crystals of Cla−B and Cla−C with PfKRS reveal key interactions and loop readjustments that allow drug binding and inhibition of the enzyme.

  本研究重点是针对恶性疟原虫赖氨酰-tRNA 合成酶（ Pf KRS）的哌啶环启发枝孢菌素抑制剂的合成和结构分析。该系列保留了针对人类对应物的选择性，但观察到用哌啶取代四氢吡喃部分会降低效力。 Cla−B 和 Cla−C 与Pf KRS 的共晶揭示了关键的相互作用和环重新调整，从而允许药物结合和抑制酶。
• Quinazoline Derivative
  申请人：Mizutani Takashi

  公开号：US20080275069A1

  公开（公告）日：2008-11-06

  This invention provides a compound or its pharmaceutically-acceptable salt of formula (I) wherein R 1 represents a lower alkyl group et al; R 2 and R 3 are same and different and represents hydrogen atm et al; R 4 represents the substituent of the formula (I) et al; X 1 represents NH, O or S; Y represents N or C; Ar is a divalent substituent derived from aryl et al, by removing two hydrogen atoms therefrom; the ring A represents a 5- or 6-membered heteroaryl group; this compounds has a histamine-H3 receptor antagonistic effect or a histamine-H3 receptor inverse-agonistic effect and is useful for preventive or remedy of metabolic system diseases, circulatory system diseases or nervous system diseases.

  本发明提供了式（I）的化合物或其药学上可接受的盐，其中R1代表较低的烷基等；R2和R3相同或不同，分别代表氢原子等；R4代表式（I）的取代基等；X1代表NH、O或S；Y代表N或C；Ar是由芳基衍生的二价取代基等，通过去除其中的两个氢原子而得到；环A表示5-或6-成员杂芳基基团；这些化合物具有组胺H3受体拮抗作用或组胺H3受体反向激动剂作用，并且对于预防或治疗代谢系统疾病、循环系统疾病或神经系统疾病是有用的。
• Novel Piperidine Derivative
  申请人：Ishikawa Shiho

  公开号：US20090137576A1

  公开（公告）日：2009-05-28

  Disclosed is a substance having an antagonistic effect on the binding of histamine to a histamine H3 receptor or an inhibitory effect on the activity which a histamine H3 receptor constantly exhibits. A compound represented by the formula (I) or a pharmaceutically acceptable salt thereof; (I) wherein R1 represents a phenyl group which may be substituted or the like and R2 represents a cyano group which may be substituted or the like, or R1 and R2 together form an aliphatic heterocylic ring which may be substituted; R3 represents a group represented by the formula (II-1) below; and all of X1 to X4 represent a carbon atom or the like: (II-1) where R4 and R5 represent a lower alkyl group or the like; and m1 represents an integer of 2 to 4.

  本发明涉及一种物质，其对组胺与组胺H3受体的结合具有拮抗作用，或对组胺H3受体不断表现的活性具有抑制作用。化合物由式(I)或其药学上可接受的盐表示；(I)其中R1代表可能被取代或类似的苯基团，R2代表可能被取代或类似的氰基团，或R1和R2一起形成可能被取代的脂肪族杂环环；R3代表由下式(II-1)表示的基团；X1到X4都表示碳原子或类似物：(II-1)其中R4和R5代表较低的烷基团或类似物；m1表示2到4的整数。
• QUINAZOLINE DERIVATIVE
  申请人：BANYU PHARMACEUTICAL CO., LTD.

  公开号：EP1757594A1

  公开（公告）日：2007-02-28

  This invention provides a compound or its pharmaceutically-acceptable salt of formula (I) wherein R1 represents a lower alkyl group et al; R2 and R3 are same and different and represents hydrogen atm et al; R4 represents the substituent of the formula (II) et al; X1 represents NH, O or S; Y represents N or C; Ar is a divalent substituent derived from aryl et al, by removing two hydrogen atoms therefrom; the ring A represents a 5- or 6-membered heteroaryl group; this compounds has a histamine-H3 receptor antagonistic effect or a histamine-H3 receptor inverse-agonistic effect and is useful for preventive or remedy of metabolic system diseases, circulatory system diseases or nervous system diseases.

  本发明提供了一种式 (I) 的化合物或其药学上可接受的盐 其中 R1 代表低级烷基等；R2 和 R3 相同或不同，代表氢大气等；R4 代表式（II）的取代基等； 该化合物具有组胺-H3 受体拮抗作用或组胺-H3 受体反拮抗作用，可用于预防或治疗代谢系统疾病、循环系统疾病或神经系统疾病。
• US7960394B2
  申请人：——

  公开号：US7960394B2

  公开（公告）日：2011-06-14