isochroman-6-ol | 412338-41-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: isochroman-6-ol
• 英文别名: 3,4-dihydro-1H-isochromen-6-ol
• CAS: 412338-41-1
• 化学式: C₉H₁₀O₂
• 分子量: 150.177
• InChiKey: YXPMZDNYHFWZJI-UHFFFAOYSA-N

物化性质

• 沸点：
  153-162 °C(Press: 7 Torr)
• 密度：
  1.194±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  isochroman-6-ol 在 吡啶 、 diethylzinc 、 caesium carbonate 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 49.25h， 生成 benzyl 5-(isochroman-6-yloxy)-2-azabicyclo[4.1.0]heptane-2-carboxylate
  参考文献：
  名称：

  [EN] AZABICYCLO[4.1.0]HEPTANE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR
  [FR] AZABICYCLO[4.1.0]HEPTANES MODULATEURS ALLOSTÉRIQUES DU RÉCEPTEUR MUSCARINIQUE M4 DE L'ACÉTYLCHOLINE

  摘要：

  本发明涉及azabicyclo[4.1.0]庚烷类化合物，它们是M4肌酸乙酰胆碱受体的变构调节剂。本发明还涉及所述化合物在潜在治疗或预防M4肌酸乙酰胆碱受体参与的神经和精神疾病中的用途。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M4肌酸乙酰胆碱受体参与的疾病中的用途。

  公开号：

  WO2018226545A1
• 作为产物：
  描述：

  4-hydroxy-2-(2-hydroxy-ethyl)-benzaldehyde 在 lithium aluminium tetrahydride 、 乙醚 作用下， 生成 isochroman-6-ol
  参考文献：
  名称：

  The Preparation of 6-Hydroxyisochroman¹

  摘要：

  DOI：

  10.1021/ja01152a538

文献信息

• [EN] SUBSTITUTED 2-(CHROMAN-6-YLOXY)-THIAZOLES AND THEIR USE AS PHARMACEUTICALS<br/>[FR] THIAZOLES À SUBSTITUTION 2-(CHROMAN-6-YLOXY) ET LEUR UTILISATION COMME PRODUITS PHARMACEUTIQUES
  申请人：SANOFI SA

  公开号：WO2013037388A1

  公开（公告）日：2013-03-21

  The present invention relates to substituted 2-(chroman-6-yloxy)-thiazoles of the formula (I), in which Ar, R2, R3 and R4 are as defined in the claims. The compounds of the formula (I) are inhibitors of the sodium-calcium exchanger (NCX), especially of the sodium-calcium exchanger of subtype 1 (NCX1), and are suitable for the treatment of diverse disorders in which intracellular calcium homeostasis is disturbed, such as arrhythmias, heart failure and stroke. The invention furthermore relates to processes for the preparation of the compounds of the formula (I), their use as pharmaceuticals, and pharmaceutical compositions comprising them.

  本发明涉及式(I)的取代2-(色苷-6-氧基)-噻唑，其中Ar、R2、R3和R4如权利要求中所定义。式(I)的化合物是钠钙交换蛋白(NCX)的抑制剂，特别是钠钙交换蛋白的亚型1(NCX1)的抑制剂，并适用于治疗细胞内钙离子稳态紊乱的各种疾病，如心律失常、心力衰竭和中风。此外，该发明还涉及制备式(I)化合物的方法，它们作为药物的用途，以及包含它们的药物组合物。
• Azabicyclo[4.1.0]heptane allosteric modulators of the M4 muscarinic acetylcholine receptor
  申请人：Merck Sharp & Dohme Corp.

  公开号：US10945771B2

  公开（公告）日：2021-03-16

  The present invention is directed to azabicyclo[4.1.0]heptane compounds which are allosteric modulators of the M4 muscarinic acetylcholine receptor. 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 M4 muscarinic acetylcholine 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 M4 muscarinic acetylcholine receptors are involved.

  本发明涉及氮杂双环[4.1.0]庚烷化合物，该化合物是 M4 毒蕈碱乙酰胆碱受体的异构调节剂。本发明还涉及本文所述化合物在潜在治疗或预防涉及 M4 毒蕈碱乙酰胆碱受体的神经和精神障碍及疾病中的用途。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涉及 M4 蕈样乙酰胆碱受体的此类疾病中的用途。
• PHARMACEUTICAL COMPOUNDS
  申请人：ELI LILLY AND COMPANY

  公开号：EP1345930A2

  公开（公告）日：2003-09-24
• AZABICYCLO[4.1.0]HEPTANE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR
  申请人：Merck Sharp & Dohme Corp.

  公开号：US20200095262A1

  公开（公告）日：2020-03-26

  The present invention is directed to azabicyclo[4.1.0]heptane compounds which are allosteric modulators of the M4 muscarinic acetylcholine receptor. 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 M4 muscarinic acetylcholine 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 M4 muscarinic acetylcholine receptors are involved.
• [EN] PHARMACEUTICAL COMPOUNDS<br/>[FR] COMPOSES PHARMACEUTIQUES
  申请人：LILLY CO ELI

  公开号：WO2002050067A2

  公开（公告）日：2002-06-27

  This invention relates to compounds of formula (I) where R?1 to R12¿, -W-V-, -X-Y-, m and n have the values defined in claim 1, their preparation and use as pharmaceuticals.