(S)-2-methylpyrrolidine hydrobromide | 834878-12-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: (S)-2-methylpyrrolidine hydrobromide
• 英文别名: (2S)-2-methylpyrrolidine hydrobromide；2-S-methyl pyrrolidine hydrobromide；(2S)-2-methylpyrrolidine;hydrobromide
• CAS: 834878-12-5
• 化学式: BrH*C₅H₁₁N
• 分子量: 166.061
• InChiKey: SVNFYWQLDGHXHN-JEDNCBNOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.34
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  12
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (S)-2-methylpyrrolidine hydrobromide 、 3-溴-1-丙醇 在 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 以80%的产率得到(S)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
  参考文献：
  名称：

  Fused ring 4-oxopyrimidine derivative

  摘要：

  本发明提供以下公式（I）所表示的化合物或其药学上可接受的盐，具有组织胺H3受体拮抗剂或逆激动剂活性，在代谢性疾病、循环系统疾病或神经系统疾病的预防或治疗中有用。【其中，例如，Ar是通过从苯中消除两个氢原子形成的二价基团，X1是氮原子、硫原子或氧原子，R1是5-至6-成员杂芳基团，环A是5-至6-成员杂芳基环，R2和R3是氨基或烷基氨基，X2由以下公式（II）表示：（其中R4和R5是较低烷基基团，n是从2到4的整数）。】

  公开号：

  US20050182045A1
• 作为产物：
  描述：

  D-脯氨醇 生成 (S)-2-methylpyrrolidine hydrobromide
  参考文献：
  名称：

  NOVEL PIPERIDINE DERIVATIVE

  摘要：

  公开号：

  EP1892241B1

文献信息

• Novel amines as histamine-3 receptor ligands and their therapeutic applications
  申请人：——

  公开号：US20020169188A1

  公开（公告）日：2002-11-14

  Compounds of formula (I) 1 or a pharmaceutically acceptable salts or prodrug thereof which are useful for the modulation of the histamine-3 receptors in mammals and which are useful for the treatment of disorders ameliorated by histamine-3 receptor ligands.

  化合物的公式（I）1或其药物可接受的盐或前药，对哺乳动物中的组胺-3受体进行调节，对通过组胺-3受体配体改善的疾病的治疗有用。
• Biaryl piperazinyl-pyridine analogues
  申请人：Bakthavatchalam Rajagopal

  公开号：US20070027155A1

  公开（公告）日：2007-02-01

  Biaryl piperazinyl-pyridine analogues are provided, of the Formula: wherein variables are as described herein. Such compounds are ligands that may be used to modulate specific receptor activity in vivo or in vitro, and are particularly useful in the treatment of conditions associated with pathological receptor activation in humans, domesticated companion animals and livestock animals. Pharmaceutical compositions and methods for using such compounds to treat such disorders are provided, as are methods for using such ligands for receptor localization studies.

  提供了公式为：其中变量如此处所述的Biaryl piperazinyl-pyridine类似物。这些化合物是配体，可用于调节体内或体外特定受体活性，并且在治疗与人类、家养伴侣动物和家畜动物的病理性受体激活相关的疾病方面特别有用。提供了用于治疗此类疾病的制药组合物和方法，以及用于受体定位研究的这些配体的方法。
• Amines as histamine-3 receptor ligands and their therapeutic applications
  申请人：Abbott Laboratories

  公开号：US07538138B2

  公开（公告）日：2009-05-26

  Compounds of formula (I) or a pharmaceutically acceptable salts or prodrug thereof which are useful for the modulation of the histamine-3 receptors in mammals and which are useful for the treatment of disorders ameliorated by histamine-3 receptor ligands.

  公式（I）的化合物或其药学上可接受的盐或前药，对哺乳动物组织中组胺-3受体的调节具有有用作用，并且对通过组胺-3受体配体改善的疾病的治疗具有有用作用。
• [EN] BIARYL PIPERAZINYL-PYRIDINE ANALOGUES<br/>[FR] ANALOGUES DE BIARYL PIPERAZINYL-PYRIDINE
  申请人：NEUROGEN CORP

  公开号：WO2005007648A3

  公开（公告）日：2005-03-24
• Synthesis, Structure−Activity Relationships, and Biological Profiles of a Quinazolinone Class of Histamine H₃ Receptor Inverse Agonists
  作者：Tsuyoshi Nagase、Takashi Mizutani、Shiho Ishikawa、Etsuko Sekino、Takahide Sasaki、Takashi Fujimura、Sayaka Ito、Yuko Mitobe、Yasuhisa Miyamoto、Ryo Yoshimoto、Takeshi Tanaka、Akane Ishihara、Norihiro Takenaga、Shigeru Tokita、Takehiro Fukami、Nagaaki Sato

  DOI：10.1021/jm8003834

  日期：2008.8.1

  A new series of quinazolinone derivatives was synthesized and evaluated as nonimidazole H(3) receptor inverse agonists. 2-Methyl-3-(4-[3-(1-pyrrolidinyl)propy]oxy}phenyl)-5-(trifluoromethyl)-4(3H)-quinazolinone (1) was identified as a promising derivative for further evaluation following optimization of key parameters. Compound 1 has potent H3 inverse agonist activity and excellent selectivity over other histamine receptor subtypes and a panel of 115 unrelated diverse binding sites. Compound 1 also shows satisfactory pharmacokinetic profiles and brain penetrability in laboratory animals. Two hours after oral administration of 30 mg/kg of 1 to SD rats, significant elevation of brain histamine levels was observed where the brain H3 receptor was highly occupied (>90%). On the basis of species differences in P-glycoprotein (P-gp) susceptibility of I between human and rodent P-gps, the observed rodent brain permeability of I is significantly limited by P-gp mediated efflux in rodents, whereas the extent of P-gp mediated efflux in humans should be very small or negligible. The potential of 1 to be an efficacious drug was demonstrated by its excellent brain penetrability and receptor occupancy in P-gp-deficient CF-1 mice.