tert-butyl 1-(thiazol-4-ylmethyl)piperidin-4-ylcarbamate | 1228837-31-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: tert-butyl 1-(thiazol-4-ylmethyl)piperidin-4-ylcarbamate
• 英文别名: tert-butyl N-[1-(1,3-thiazol-4-ylmethyl)piperidin-4-yl]carbamate
• CAS: 1228837-31-7
• 化学式: C₁₄H₂₃N₃O₂S
• mdl: MFCD28129704
• 分子量: 297.422
• InChiKey: GPUHGCAQUAHEGK-UHFFFAOYSA-N

物化性质

• 沸点：
  420.5±40.0 °C(Predicted)
• 密度：
  1.17±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.714
• 拓扑面积：
  82.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  tert-butyl 1-(thiazol-4-ylmethyl)piperidin-4-ylcarbamate 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 16.0h， 以24%的产率得到1-(thiazol-4-ylmethyl)piperidin-4-amine hydrochloride
  参考文献：
  名称：

  Discovery and hit-to-lead optimization of pyrrolopyrimidines as potent, state-dependent Nav1.7 antagonists

  摘要：

  Herein we describe the discovery, optimization, and structure-activity relationships of novel potent pyrrolopyrimidine Na(v)1.7 antagonists. Hit-to-lead SAR studies of the pyrrolopyrimidine core, head, and tail groups of the molecule led to the identification of pyrrolopyrimidine 48 as exceptionally potent Na(v)1.7 blocker with good selectivity over hERG and improved microsomal stability relative to our hit molecule and pyrazolopyrimidine 8 as a promising starting point for future optimization efforts. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2012.01.015
• 作为产物：
  描述：

  噻唑-4-甲醛 、 4-叔丁氧羰基氨基哌啶 在 三乙酰氧基硼氢化钠 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 16.0h， 以34%的产率得到tert-butyl 1-(thiazol-4-ylmethyl)piperidin-4-ylcarbamate
  参考文献：
  名称：

  Discovery and hit-to-lead optimization of pyrrolopyrimidines as potent, state-dependent Nav1.7 antagonists

  摘要：

  Herein we describe the discovery, optimization, and structure-activity relationships of novel potent pyrrolopyrimidine Na(v)1.7 antagonists. Hit-to-lead SAR studies of the pyrrolopyrimidine core, head, and tail groups of the molecule led to the identification of pyrrolopyrimidine 48 as exceptionally potent Na(v)1.7 blocker with good selectivity over hERG and improved microsomal stability relative to our hit molecule and pyrazolopyrimidine 8 as a promising starting point for future optimization efforts. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2012.01.015

文献信息

• APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES
  申请人：Bruncko Milan

  公开号：US20100160322A1

  公开（公告）日：2010-06-24

  Disclosed are compounds which inhibit the activity of anti-apoptotic Bcl-2 proteins, compositions containing the compounds and methods of treating diseases during which is expressed anti-apoptotic Bcl-2 protein.

  揭示了抑制抗凋亡Bcl-2蛋白活性的化合物，含有这些化合物的组合物以及治疗在其中表达抗凋亡Bcl-2蛋白的疾病的方法。
• BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES
  申请人：Bruncko Milan

  公开号：US20100152183A1

  公开（公告）日：2010-06-17

  Disclosed are compounds which inhibit the activity of anti-apoptotic Bcl-2 or Bcl-xL proteins, compositions containing the compounds and methods of treating diseases during which are expressed anti-apoptotic Bcl-2 protein.

  本发明涉及抑制抗凋亡Bcl-2或Bcl-xL蛋白活性的化合物，含有该化合物的组合物，以及治疗表达抗凋亡Bcl-2蛋白的疾病的方法。
• BCL-2 SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES
  申请人：ABBVIE INC.

  公开号：US20130296295A1

  公开（公告）日：2013-11-07

  Disclosed are compounds which inhibit the activity of anti-apoptotic Bcl-2 or Bcl-xL proteins, compositions containing the compounds and methods of treating diseases during which are expressed anti-apoptotic Bcl-2 protein.

  本发明涉及一种抑制抗凋亡Bcl-2或Bcl-xL蛋白活性的化合物，包含该化合物的组合物以及治疗表达抗凋亡Bcl-2蛋白疾病的方法。
• PROCESS FOR THE PREPARATION OF A SULFONAMIDE DERIVATIVE
  申请人：AbbVie Inc.

  公开号：EP3666758A1

  公开（公告）日：2020-06-17

  Disclosed is a process for the preparation of the compound of formula (471)

  公开了一种制备式（471）化合物的工艺
• SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES
  申请人：AbbVie Inc.

  公开号：EP2376480B1

  公开（公告）日：2016-06-01