(3S,4S)-3-amino-4-methylpiperidine-1-carboxylic acid tert-butyl ester

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: (3S,4S)-3-amino-4-methylpiperidine-1-carboxylic acid tert-butyl ester
• 英文别名: racemic-cis-tert-butyl 3-amino-4-methylpiperidine-1-carboxylate；(3S,4S)-tert-butyl 3-amino-4-methylpiperidine-1-carboxylate；(3S,4S)-tert-Butyl 3-amino-4-methylpiperidine-1-carboxylate；tert-butyl (3S,4S)-3-amino-4-methylpiperidine-1-carboxylate
• 化学式: C₁₁H₂₂N₂O₂
• 分子量: 214.308
• InChiKey: OWWPBKGSGNQMPL-DTWKUNHWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  55.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  tert-butyl (3S,4S)-4-methyl-3-(phenylmethoxycarbonylamino)piperidine-1-carboxylate 在 palladium on activated charcoal 、 氢气 作用下， 以 甲醇 为溶剂， 以100 mg的产率得到(3S,4S)-3-amino-4-methylpiperidine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  [EN] HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ABNORMAL CELLULAR PROLIFERATION
  [FR] COMPOSÉS HÉTÉROCYCLIQUES POUR LE TRAITEMENT D'UNE PROLIFÉRATION CELLULAIRE ANORMALE

  摘要：

  这项发明涉及杂环基化合物领域，用于治疗涉及异常细胞增殖的疾病，包括但不限于肿瘤和癌症。

  公开号：

  WO2019136244A1

文献信息

• [EN] INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7)<br/>[FR] INHIBITEURS DE LA KINASE CYCLINE-DÉPENDANTE 7 (CDK7)
  申请人：SYROS PHARMACEUTICALS INC

  公开号：WO2019143719A1

  公开（公告）日：2019-07-25

  The present invention provides, inter alia, compounds having the structures of formulas described herein; pharmaceutically acceptable salts, solvates, hydrates, tautomers, and isotopic forms thereof; and compositions (e.g., pharmaceutical compositions and kits) containing one or more of the foregoing. Also provided are methods of administering and uses involving the compounds and/or pharmaceutical compositions for treating or preventing disease. The disease can be a proliferative disease, such as a cancer (e.g., a blood cancer (e.g., a leukemia or lymphoma), a brain cancer, a breast cancer, melanoma, multiple myeloma, or an ovarian cancer) a benign neoplasm, pathologic angiogenesis, or a fibrotic disease. While no aspect of the invention is limited by the biological events that may transpire, administering a compound or other composition described herein may selectively inhibit the aberrant expression or activity of cyclin-dependent kinase 7 (CDK7) and, thereby, induce cellular apoptosis and/or inhibit the transcription of disease-related genes in the patient (or in a biological sample).

  本发明提供了具有此处描述的结构的化合物；其药学上可接受的盐、溶剂化合物、水合物、互变体以及同位素形式；以及含有上述化合物和/或药学组合物的组合物（例如，药物组合物和试剂盒）。还提供了涉及上述化合物和/或药学组合物用于治疗或预防疾病的给药方法和用途。该疾病可以是增生性疾病，例如癌症（例如，血液癌症（例如，白血病或淋巴瘤），脑癌，乳腺癌，黑色素瘤，多发性骨髓瘤或卵巢癌），良性肿瘤，病理性血管生成，或纤维化疾病。尽管该发明的任何方面都不受可能发生的生物事件的限制，但给予此处描述的化合物或其他组合物可能选择性地抑制细胞周期依赖性激酶7（CDK7）的异常表达或活性，并因此在患者（或生物样本）中诱导细胞凋亡和/或抑制与疾病相关基因的转录。
• Inhibitors of cyclin dependent kinase 7 (CDK7)
  申请人：Syros Pharmaceuticals, Inc.

  公开号：US11311542B2

  公开（公告）日：2022-04-26

  The present invention provides, inter alia, compounds having the structures of formulas described herein; pharmaceutically acceptable salts, solvates, hydrates, tautomers, and isotopic forms thereof; and compositions (e.g., pharmaceutical compositions and kits) containing one or more of the foregoing. Also provided are methods of administering and uses involving the compounds and/or pharmaceutical compositions for treating or preventing disease. The disease can be a proliferative disease, such as a cancer (e.g., a blood cancer (e.g., a leukemia or lymphoma), a brain cancer, a breast cancer, melanoma, multiple myeloma, or an ovarian cancer) a benign neoplasm, pathologic angiogenesis, or a fibrotic disease. While no aspect of the invention is limited by the biological events that may transpire, administering a compound or other composition described herein may selectively inhibit the aberrant expression or activity of cyclin-dependent kinase 7 (CDK7) and, thereby, induce cellular apoptosis and/or inhibit the transcription of disease-related genes in the patient (or in a biological sample).

  本发明特别提供了具有本文所述公式结构的化合物；其药学上可接受的盐、溶液剂、水合物、同系物和同位素形式；以及含有一种或多种上述物质的组合物（如药物组合物和试剂盒）。此外，还提供了治疗或预防疾病的化合物和/或药物组合物的施用方法和用途。疾病可以是增殖性疾病，如癌症（如血癌（如白血病或淋巴瘤）、脑癌、乳腺癌、黑色素瘤、多发性骨髓瘤或卵巢癌）良性肿瘤、病理性血管生成或纤维化疾病。虽然本发明的任何方面都不受可能发生的生物事件的限制，但施用本文所述的化合物或其他组合物可选择性地抑制细胞周期蛋白依赖性激酶7（CDK7）的异常表达或活性，从而诱导细胞凋亡和/或抑制患者（或生物样本）中疾病相关基因的转录。
• HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF ABNORMAL CELLULAR PROLIFERATION
  申请人：G1 Therapeutics, Inc.

  公开号：US20200331925A1

  公开（公告）日：2020-10-22

  This invention is in the area of heterocyclic-based compounds for the treatment of disorders involving abnormal cellular proliferation, including but not limited to tumors and cancers.
• INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7)
  申请人：Syros Pharmaceuticals, Inc.

  公开号：US20210379065A1

  公开（公告）日：2021-12-09

  The present invention provides, inter alia, compounds having the structures of formulas described herein; pharmaceutically acceptable salts, solvates, hydrates, tautomers, and isotopic forms thereof; and compositions (e.g., pharmaceutical compositions and kits) containing one or more of the foregoing. Also provided are methods of administering and uses involving the compounds and/or pharmaceutical compositions for treating or preventing disease. The disease can be a proliferative disease, such as a cancer (e.g., a blood cancer (e.g., a leukemia or lymphoma), a brain cancer, a breast cancer, melanoma, multiple myeloma, or an ovarian cancer) a benign neoplasm, pathologic angiogenesis, or a fibrotic disease. While no aspect of the invention is limited by the biological events that may transpire, administering a compound or other composition described herein may selectively inhibit the aberrant expression or activity of cyclin-dependent kinase 7 (CDK7) and, thereby, induce cellular apoptosis and/or inhibit the transcription of disease-related genes in the patient (or in a biological sample).