4-[(2-碘苯氧基)甲基]-1-甲基-3,6-二氢-2H-吡啶 | 179064-39-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-[(2-碘苯氧基)甲基]-1-甲基-3,6-二氢-2H-吡啶
• 英文名称: 4-<(2-iodophenoxy)methyl>-1-methyl-1,2,3,6-tetrahydropyridine
• 英文别名: 4-(2-Iodophenoxymethyl)-1-methyl-1,2,3,6-tetrahydropyridine；4-[(2-iodophenoxy)methyl]-1-methyl-3,6-dihydro-2H-pyridine
• CAS: 179064-39-2
• 化学式: C₁₃H₁₆INO
• 分子量: 329.181
• InChiKey: UMGCSWYBULSQNP-UHFFFAOYSA-N

物化性质

• 沸点：
  378.4±37.0 °C(Predicted)
• 密度：
  1.494±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-[(2-碘苯氧基)甲基]-1-甲基-3,6-二氢-2H-吡啶 在 palladium on activated charcoal 偶氮二异丁腈 、 copper(II) nitrate 、 氢气 、 三正丁基氢锡 、 乙酸酐 作用下， 以 乙醇 、 苯 为溶剂， 反应 7.0h， 生成 5-amino-2,3-dihydro-1'-methylspiro
  参考文献：
  名称：

  The Selective 5-HT_1B Receptor Inverse Agonist 1‘-Methyl-5-[[2‘-methyl-4‘- (5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]carbonyl]-2,3,6,7-tetrahydro- spiro[furo[2,3-f]indole-3,4‘-piperidine] (SB-224289) Potently Blocks Terminal 5-HT Autoreceptor Function Both in Vitro and in Vivo

  摘要：

  5-HT1 receptors are members of the G-protein-coupled receptor superfamily and are negatively Linked to adenylyl cyclase activity. The human 5-HT1B and 5-HT1D receptors (previously known as 5-HT1D beta and 5-HT1D alpha, respectively), although encoded by two distinct genes, are structurally very similar. Pharmacologically, these two receptors have been differentiated using nonselective chemical tools such as ketanserin and ritanserin, but the absence of truly selective agents has meant that the precise function of the 5-HT1B and 5-HT1D receptors has not been defined. In this paper we describe how, using computational chemistry models as a guide, the nonselective 5-HT1B/5-HT1D receptor antagonist 4 was structurally modified to produce the selective 5-HT1B receptor inverse agonist 5, 1'-methyl-5-[[2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]carbonyl]-2,3,6,7-tetrahydrospiro[furo[2,3-f]indole-3,4'-piperidine] (SB-224289). This compound is a potent antagonist of terminal 5-HT autoreceptor function both in vitro and in vivo.

  DOI：

  10.1021/jm970457s
• 作为产物：
  描述：

  1,2,3,6-四氢-1-甲基-4-吡啶甲醇 、 2-碘苯酚 生成 4-[(2-碘苯氧基)甲基]-1-甲基-3,6-二氢-2H-吡啶
  参考文献：
  名称：

  Tricyclic spiro compounds process for their preparation and their use of

  摘要：

  本发明揭示了公式(I)的新型酰胺衍生物，其制备方法，含有它们的制药组合物以及它们作为药物的用途。##STR1##

  公开号：

  US05952325A1

文献信息

• Modulators of muscarinic receptors
  申请人：Makings R. Lewis

  公开号：US20080015179A1

  公开（公告）日：2008-01-17

  The present invention relates to modulators of muscarinic receptors. The present invention also provides compositions comprising such modulators, and methods therewith for treating muscarinic receptor mediated diseases.

  本发明涉及肌胆碱受体调节剂。本发明还提供包含这种调节剂的组合物，并提供了用于治疗肌胆碱受体介导疾病的方法。
• [EN] TETRACYCLIC SPIRO COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS 5HT1D RECEPTOR ANTAGONISTS<br/>[FR] COMPOSES SPIRO TETRACYCLIQUES, PROCEDES DE PREPARATION ET UTILISATION COMME ANTAGONISTES DU RECEPTEUR 5HT1D
  申请人：SMITHKLINE BEECHAM PLC

  公开号：WO1996019477A1

  公开（公告）日：1996-06-27

  (EN) Novel piperidine derivatives of formula (I), processes for their preparation, pharmaceutical compositions containing them and their use as medicaments for the treatment of CNS disorders are disclosed.(FR) La présente invention concerne de nouveaux dérivés de pipéridine représentés par la formule générale (I), des procédés permettant leur préparation, des compositions pharmaceutiques à base de ces dérivés, ainsi que leur utilisation en tant que médicaments destinés au traitement de troubles du système nerveux central.

  （中文）本发明涉及一种新的哌啶衍生物，其化学式为（I），其制备方法，包含它们的药物组合物以及它们作为治疗中枢神经系统疾病的药物的使用。
• Use of 5HT.sub.1B receptor antagonist for the treatment of vascular
  申请人：SmithKline Beecham p.l.c.

  公开号：US06107328A1

  公开（公告）日：2000-08-22

  The present application is directed to the use of 5HT.sub.1B or 5HT.sub.1D receptor antagonists in the treatment of vascular diseases, in particular angina, Raynaud's syndrome, peripheral vascular syndrome or portal hypertension.

  本申请涉及使用5HT.sub.1B或5HT.sub.1D受体拮抗剂治疗血管疾病，特别是心绞痛、雷诺综合征、外周血管症候群或门静脉高压症。
• Tetracyclic spiro compounds, process for their preparation and their use
  申请人：SmithKline Beecham plc

  公开号：US05972951A1

  公开（公告）日：1999-10-26

  Novel piperidine derivatives of formula (I), processes for their preparation, pharmaceutical compositions containing them and their use as medicaments for the treatment of CNS disorders are disclosed.

  本发明揭示了式(I)的新型哌啶衍生物，其制备过程，含有它们的制药组合物以及它们作为治疗中枢神经系统疾病的药物的用途。
• Spiroindoline Modulators of Muscarinic Receptors
  申请人：Makings Lewis R.

  公开号：US20120283243A1

  公开（公告）日：2012-11-08

  The present invention relates to modulators of muscarinic receptors. The present invention also provides compositions comprising such modulators, and methods therewith for treating muscarinic receptor mediated diseases.

  本发明涉及肌动蛋白受体调节剂。本发明还提供包含这种调节剂的组合物，并提供使用这些组合物治疗肌动蛋白受体介导疾病的方法。