2-(4-bromophenyl)-5-chloro-N-methoxy-N-methylpentanamide

• 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: 2-(4-bromophenyl)-5-chloro-N-methoxy-N-methylpentanamide
• 化学式: C₁₃H₁₇BrClNO₂
• 分子量: 334.63
• InChiKey: BJERRXONBUODOG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• Biocatalytic transamination process
  申请人：Merck Sharp & Dohme Corp.

  公开号：US10407702B2

  公开（公告）日：2019-09-10

  A novel process is provided for the efficient preparation of an asymmetric compound of structural formula I: employing dynamic kinetic resolution (DKR). The DKR process involves an enzymatic enantioselective amination reaction catalyzed by transaminases. The process can be used to manufacture key intermediates in the preparation of poly (ADP-ribose) polymerase (PARP) inhibitors which may be useful for the treatment of cancer.

  提供了一种高效制备结构式 I 不对称化合物的新工艺： 采用动态动力学解析法（DKR）。DKR 工艺涉及转氨酶催化的酶促对映体选择性胺化反应。该工艺可用于制造制备聚（ADP-核糖）聚合酶（PARP）抑制剂的关键中间体，这种抑制剂可能有助于治疗癌症。
• BIOCATALYTIC TRANSAMINATION PROCESS
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP2928865B1

  公开（公告）日：2018-04-11
• Biocatalytic Transamination Process
  申请人：BULGER Paul Gerard

  公开号：US20160040201A1

  公开（公告）日：2016-02-11

  A novel process is provided for the efficient preparation of an asymmetric compound of structural formula I: employing dynamic kinetic resolution (DKR). The DKR process involves an enzymatic enantioselective amination reaction catalyzed by transaminases. The process can be used to manufacture key intermediates in the preparation of poly (ADP-ribose) polymerase (PARP) inhibitors which may be useful for the treatment of cancer.
• US9738915B2
  申请人：——

  公开号：US9738915B2

  公开（公告）日：2017-08-22
• [EN] BIOCATALYTIC TRANSAMINATION PROCESS<br/>[FR] PROCÉDÉ DE TRANSAMINATION BIOCATALYTIQUE
  申请人：MERCK SHARP & DOHME

  公开号：WO2014088984A1

  公开（公告）日：2014-06-12

  A novel process is provided for the efficient preparation of an asymmetric compound of structural formula (I): employing dynamic kinetic resolution (DKR). The DKR process involves an enzymatic enantioselective amination reaction catalyzed by transaminases. The process can be used to manufacture key intermediates in the preparation of poly (ADP-ribose) polymerase (PARP) inhibitors which may be useful for the treatment of cancer.