5-amino-6-bromo-N-(1-(tetrahydro-2H-pyran-4-ylmethyl)-4-piperidinyl)methyl-3,4-dihydro-2H-chromene-8-carboxacarboxamide monotosylate | 1202578-26-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5-amino-6-bromo-N-(1-(tetrahydro-2H-pyran-4-ylmethyl)-4-piperidinyl)methyl-3,4-dihydro-2H-chromene-8-carboxacarboxamide monotosylate
• 英文别名: 5-amino-6-bromo-N-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methyl]-3,4-dihydro-2H-chromene-8-carboxamide;4-methylbenzenesulfonic acid
• CAS: 1202578-26-4
• 化学式: C₇H₈O₃S*C₂₂H₃₂BrN₃O₃
• 分子量: 638.623
• InChiKey: AREKHSSAJXTVBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.47
• 重原子数：
  40
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  140
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  5-amino-6-bromo-N-(1-(tetrahydro-2H-pyran-4-ylmethyl)-4-piperidinyl)methyl-3,4-dihydro-2H-chromene-8-carboxamide monohydrochloride 、 对甲苯磺酸 在 sodium carbonate 作用下， 以 deionised water 、 乙腈 为溶剂， 反应 4.17h， 以79%的产率得到5-amino-6-bromo-N-(1-(tetrahydro-2H-pyran-4-ylmethyl)-4-piperidinyl)methyl-3,4-dihydro-2H-chromene-8-carboxacarboxamide monotosylate
  参考文献：
  名称：

  Implementation of a High-Temperature Claisen Approach for Early Phase Delivery of a Benzopyran Derivative

  摘要：

  Control of trace inorganics and,in understanding of reaction kinetics and impurity generation proved critical in allowing safe and reliable scale-tip of a high-temperature Claisen reaction in support of multikilogram manufacture of a key chromene intermediate 4. Implementation of a Medicinal Chemistry route allowed for rapid early phase delivery of I to support early clinical studies.

  DOI：

  10.1021/op900193v

文献信息

• NOVEL COMPOUNDS
  申请人：Ahmed Mahmood

  公开号：US20070232657A1

  公开（公告）日：2007-10-04

  The present invention relates to a novel benzamide derivative having pharmacological activity, to processes for its preparation, to compositions containing it and to its use in the treatment of diseases treatable by 5-HT4 receptor activation.

  本发明涉及一种具有药理活性的新型苯甲酰胺衍生物，其制备方法，包含其的组合物以及在治疗可通过5-HT4受体激活治疗的疾病中的应用。