4-(4-cyano-tetrahydro-pyran-4-yl)-piperazine-1-carboxylic acid tert-butyl ester | 569652-93-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 4-(4-cyano-tetrahydro-pyran-4-yl)-piperazine-1-carboxylic acid tert-butyl ester
• 英文别名: Tert-butyl 4-(4-cyanooxan-4-yl)piperazine-1-carboxylate
• CAS: 569652-93-3
• 化学式: C₁₅H₂₅N₃O₃
• 分子量: 295.382
• InChiKey: YQIKHIULRLIYJH-UHFFFAOYSA-N

物化性质

• 沸点：
  425.7±45.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  65.8
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  4-(4-cyano-tetrahydro-pyran-4-yl)-piperazine-1-carboxylic acid tert-butyl ester 在 sodium hydroxide 、 双氧水 作用下， 以 甲醇 、 水 为溶剂， 生成 4-(4-carbamoyl-tetrahydro-pyran-4-yl)-piperazine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  [EN] THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS
  [FR] DÉRIVÉS DE THIÉNOPYRIMIDIÈNE COMME INHIBITEURS DE PI3K

  摘要：

  公开号：

  WO2009053715A8
• 作为产物：
  描述：

  四氢吡喃酮 、 三甲基氰硅烷 、 N-Boc-哌嗪 在 zinc(II) iodide 作用下， 生成 4-(4-cyano-tetrahydro-pyran-4-yl)-piperazine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Privileged structure based ligands for melanocortin receptors—4,4-Disubstituted piperidine derivatives

  摘要：

  Homologation and cyclization back to the chiral methine of compound 3 yields achiral 4,4-disubstituted piperidine privileged structures (e.g., 8a) useful in the construction of melanocortin 4 receptor (MC4R) ligands. The piperidine nitrogen was replaced with carbon, oxygen, sulfur, and sulfone with minor erosion of binding. The methyl cyclohexane substituent was the most potent while significant affinity was still seen for smaller lipophilic groups such as ethyl. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.04.016

文献信息

• Thienopyrimidine derivatives as P13K inhibitors
  申请人：F. Hoffmann-La Roche AG

  公开号：US08293735B2

  公开（公告）日：2012-10-23

  Thienopyrimidines of formula (I) wherein W and R1 to R4 are as defined in the claims, and the pharmaceutically acceptable salts thereof are inhibitors of PI3K and are selective for the p110δ isoform, which is a class Ia PI3 kinase, over both other class Ia and class Ib kinases. The compounds may be used to treat diseases and disorders arising from abnormal cell growth, function or behavior associated with PI3 kinase such as cancer, immune disorders, cardiovascular disease, viral infection, inflammation, metabolism/endocrine function disorders and neurological disorders.

  公式（I）中W和R1至R4的定义如权利要求中所述，其药学上可接受的盐是PI3K的抑制剂，并且对于p110δ异构体具有选择性，该异构体是Ia类PI3激酶，优于其他Ia类和Ib类激酶。这些化合物可用于治疗由于PI3激酶引起的异常细胞生长，功能或行为而引起的疾病和障碍，如癌症，免疫障碍，心血管疾病，病毒感染，炎症，代谢/内分泌功能障碍和神经系统障碍。
• THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS
  申请人：Hancox Timothy Colin

  公开号：US20110021496A1

  公开（公告）日：2011-01-27

  Thienopyrimidines of formula (I) wherein W and R 1 to R 4 are as defined in the claims, and the pharmaceutically acceptable salts thereof are inhibitors of PI3K and are selective for the p110δ isoform, which is a class Ia PI3 kinase, over both other class Ia and class Ib kinases. The compounds may be used to treat diseases and disorders arising from abnormal cell growth, function or behaviour associated with PI3 kinase such as cancer, immune disorders, cardiovascular disease, viral infection, inflammation, metabolism/endocrine function disorders and neurological disorders.

  公式（I）中，W和R1至R4的定义如索权所述，其药学上可接受的盐是PI3K的抑制剂，并且选择性地作用于p110δ同工酶，该同工酶是一种Ia类PI3激酶，优于其他Ia类和Ib类激酶。这些化合物可用于治疗由PI3激酶引起的异常细胞生长、功能或行为所引起的疾病和障碍，如癌症、免疫障碍、心血管疾病、病毒感染、炎症、代谢/内分泌功能障碍和神经系统障碍。
• THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2205610A1

  公开（公告）日：2010-07-14
• US7314879B2
  申请人：——

  公开号：US7314879B2

  公开（公告）日：2008-01-01
• US8293735B2
  申请人：——

  公开号：US8293735B2

  公开（公告）日：2012-10-23