methyl 4-bromomethyl-2-naphthoate | 79997-05-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: methyl 4-bromomethyl-2-naphthoate
• 英文别名: Methyl 4-(bromomethyl)-2-naphthoate；methyl 4-(bromomethyl)naphthalene-2-carboxylate
• CAS: 79997-05-0
• 化学式: C₁₃H₁₁BrO₂
• 分子量: 279.133
• InChiKey: KCPDQWWCJNTCML-UHFFFAOYSA-N

物化性质

• 沸点：
  392.3±25.0 °C(Predicted)
• 密度：
  1.461±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  methyl 4-bromomethyl-2-naphthoate 在 2-硝基丙烷 、 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 7.0h， 生成 methyl 4-formyl-2-naphthoate
  参考文献：
  名称：

  Synthesis and Biological Activity of New 3-Hydroxy-3-methylglutaryl Coenzyme A (HMG-CoA) Synthase Inhibitors: 2-Oxetanones with a Side Chain Mimicking the Folded Structure of 1233A.

  摘要：

  为模拟1233A（1）的折叠侧链构象，该化合物是一种3-羟基-3-甲基戊二酰辅酶A（HMG-CoA）合酶抑制剂，合成了侧链含有芳环的1233A类似物。其中2-恶坦酮部分保持不变。在1233A及其合成类似物中，反式-3-羟甲基-4-[2-(7-甲氧羰基-1-萘基)乙基]-2-恶坦酮（23）显示了最高的HMG-CoA合酶体外抑制活性。讨论了侧链上的构效关系。

  DOI：

  10.1248/cpb.42.512
• 作为产物：
  描述：

  (3-溴萘-1-基)甲醇 在 吡啶 、 sodium hydroxide 、 三溴化磷 作用下， 以 乙醚 、 水 、 苯 为溶剂， 反应 6.0h， 生成 methyl 4-bromomethyl-2-naphthoate
  参考文献：
  名称：

  Dixon, Elisabeth A.; Fischer, Alfred; Robinson, Frank P., Canadian Journal of Chemistry, 1981, vol. 59, p. 2629 - 2641

  摘要：

  DOI：

文献信息

• [EN] N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS<br/>[FR] MODULATEURS ALLOSTÉRIQUES POSITIFS DU RÉCEPTEUR M1 CONTENANT DES LACTAMES LIÉS À N
  申请人：MERCK SHARP & DOHME

  公开号：WO2012158475A1

  公开（公告）日：2012-11-22

  The present invention is directed to N-linked lactam compounds of general formula (I) which are M1 receptor positive allosteric modulators and that are useful in the treatment of diseases in which the M1 receptor is involved, such as Alzheimer's disease, schizophrenia, pain or sleep disorders. The invention is also directed to pharmaceutical compositions comprising the compounds, and to the use of the compounds and compositions in the treatment of diseases mediated by the M1 receptor.

  本发明涉及一般式（I）的N-连接内酰胺化合物，这些化合物是M1受体阳性变构调节剂，可用于治疗涉及M1受体的疾病，如阿尔茨海默病、精神分裂症、疼痛或睡眠障碍。该发明还涉及包括这些化合物的药物组合物，以及在治疗由M1受体介导的疾病中使用这些化合物和组合物。
• [EN] M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS AND METHODS OF USE THEREOF<br/>[FR] MODULATEURS ALLOSTÉRIQUES POSITIFS DU RÉCEPTEUR M1 ET PROCÉDÉS POUR LES UTILISER
  申请人：MERCK SHARP & DOHME

  公开号：WO2017160670A1

  公开（公告）日：2017-09-21

  The present invention is directed to compounds of general formula (I) or pharmaceutically acceptable salts thereof, which are M1 receptor positive allosteric modulators and that are useful in the treatment of diseases in which the M1 receptor is involved, such as Alzheimer's disease, schizophrenia, pain or sleep disorders. The invention is also directed to pharmaceutical compositions comprising the compounds, or pharmaceutically acceptable salts thereof, and to the use of the compounds and compositions in the treatment of diseases mediated by the M1 receptor.

  本发明涉及一般式(I)的化合物或其药用盐，它们是M1受体正向变构调节剂，可用于治疗M1受体参与的疾病，如阿尔茨海默病、精神分裂症、疼痛或睡眠障碍。该发明还涉及包含这些化合物或其药用盐的药物组合物，以及这些化合物和组合物在治疗由M1受体介导的疾病中的用途。
• [EN] BENZOISOQUINOLINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS<br/>[FR] MODULATEURS ALLOSTÉRIQUES POSITIFS DU RÉCEPTEUR M1 DE BENZOISOQUINOLINE
  申请人：MERCK SHARP & DOHME

  公开号：WO2018005249A1

  公开（公告）日：2018-01-04

  The present invention is directed to substituted benzoisoquinolinone compounds, their salts, pharmaceutical compositions comprising them and their use in therapy. In particular, the invention is directed substituted benzoisoquinolinone compounds which are muscarinic M1 receptor positive allosteric modulators. The present invention is also directed to uses of the compounds described herein in the potential treatment or prevention of neurological and psychiatric disorders and diseases in which M1 receptors are involved. The present invention is also directed to compositions comprising these compounds. The present invention is also directed to uses of these compositions in the potential prevention or treatment of such diseases in which M1 receptors are involved.

  本发明涉及替代苯并异喹啉酮化合物、它们的盐、包含它们的药物组合物以及它们在治疗中的用途。具体来说，该发明涉及替代苯并异喹啉酮化合物，这些化合物是肌胆碱M1受体阳性变构调节剂。本发明还涉及所述化合物在潜在治疗或预防M1受体参与的神经和精神障碍和疾病中的用途。本发明还涉及包含这些化合物的组合物。本发明还涉及这些组合物在潜在预防或治疗M1受体参与的疾病中的用途。
• DIXON, E. A.;FISCHER, A.;ROBINSON, F. P., CAN. J. CHEM., 1981, 59, N 17, 2629-2641
  作者：DIXON, E. A.、FISCHER, A.、ROBINSON, F. P.

  DOI：——

  日期：——
• ISOINDOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP2588104A1

  公开（公告）日：2013-05-08