1-苄基3,5-二甲基哌啶-1,3,5-三羧酸酯 | 1221818-73-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-苄基3,5-二甲基哌啶-1,3,5-三羧酸酯
• 英文名称: 1-benzyl 3,5-dimethyl piperidine-1,3,5-tricarboxylate
• 英文别名: 1-O-benzyl 3-O,5-O-dimethyl piperidine-1,3,5-tricarboxylate
• CAS: 1221818-73-0
• 化学式: C₁₇H₂₁NO₆
• 分子量: 335.357
• InChiKey: JRNSRTLQWPKQIJ-UHFFFAOYSA-N

物化性质

• 沸点：
  451.9±45.0 °C(Predicted)
• 密度：
  1.237±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  24
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  82.1
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  1-苄基3,5-二甲基哌啶-1,3,5-三羧酸酯 在 盐酸 、 lithium hydroxide monohydrate 、 叠氮磷酸二苯酯 、 N,N-二异丙基乙胺 作用下， 以 N-甲基吡咯烷酮 、 甲醇 、 水 、 乙酸乙酯 为溶剂， 反应 26.0h， 生成 benzyl 3-amino-5-((5-chloro-4-(1-(phenylsulfonyl)-1H-indol-3-yl)pyrimidin-2-yl)amino)piperidine-1-carboxylate
  参考文献：
  名称：

  [EN] HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES
  [FR] INHIBITEURS DE LA KINASE CYCLINE-DÉPENDANTE 7 (CDK7)

  摘要：

  公开号：

  WO2015058163A3
• 作为产物：
  描述：

  3,5-吡啶二甲酸 在 氯化亚砜 、 palladium on activated charcoal 、 氢气 、 N,N-二异丙基乙胺 作用下， 以 甲醇 、 二氯甲烷 、 溶剂黄146 为溶剂， 15.0~60.0 ℃ 、310.27 kPa 条件下， 反应 66.0h， 生成 1-苄基3,5-二甲基哌啶-1,3,5-三羧酸酯
  参考文献：
  名称：

  [EN] HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES
  [FR] INHIBITEURS DE LA KINASE CYCLINE-DÉPENDANTE 7 (CDK7)

  摘要：

  公开号：

  WO2015058163A3

文献信息

• HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES
  申请人：SYROS PHARMACEUTICALS, INC.

  公开号：US20160264552A1

  公开（公告）日：2016-09-15

  The present invention provides novel compounds of Formula (I) and Formula (II), and pharmaceutically acceptable salts, solvates, hydrates, tautomers, stereoisomers, isotopically labeled derivatives, and compositions thereof. Also provided are methods and kits involving the compounds or compositions for treating or preventing proliferative diseases (e.g., cancers (e.g., leukemia, melanoma, multiple myeloma), benign neoplasms, angiogenesis, inflammatory diseases, autoinflammatory diseases, and autoimmune diseases) in a subject. Treatment of a subject with a proliferative disease using a compound or composition of the invention may inhibit the aberrant activity of a kinase, such as a cyclin-dependent kinase (CDK) (e.g., cyclin-dependent kinase 7 (CDK7)), and therefore, induce cellular apoptosis and/or inhibit transcription in the subject. (I)

  本发明提供了公式（I）和公式（II）的新型化合物，以及其药学上可接受的盐，溶剂合物，水合物，互变异构体，立体异构体，同位素标记衍生物和组合物。还提供了涉及这些化合物或组合物的方法和套件，用于治疗或预防主体中的增殖性疾病（例如，癌症（例如，白血病，黑色素瘤，多发性骨髓瘤），良性肿瘤，血管生成，炎症性疾病，自身炎症性疾病和自身免疫性疾病）。使用本发明的化合物或组合物治疗具有增殖性疾病的主体，可以抑制激酶的异常活性，例如细胞周期依赖性激酶（CDK）（例如细胞周期依赖性激酶7（CDK7）），从而在主体中诱导细胞凋亡和/或抑制转录。(I)
• HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES
  申请人：Syros Pharmaceuticals, Inc.

  公开号：EP3057954A2

  公开（公告）日：2016-08-24
• HETEROAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES
  申请人：Syros Pharmaceuticals, Inc.

  公开号：US20190292167A1

  公开（公告）日：2019-09-26

  The present invention provides novel compounds of Formula (I), and pharmaceutically acceptable salts, solvates, hydrates, tautomers, stereoisomers, isotopically labeled derivatives, and compositions thereof. Also provided are methods and kits involving the compounds or compositions for treating or preventing proliferative diseases (e.g., cancers (e.g., leukemia, melanoma, multiple myeloma), benign neoplasms, angiogenesis, inflammatory diseases, autoinflammatory diseases, and autoimmune diseases) in a subject. Treatment of a subject with a proliferative disease using a compound or composition of the invention may inhibit the aberrant activity of cyclin-dependent kinase 7 (CDK7), and therefore, induce cellular apoptosis and/or inhibit transcription in the subject.
• [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：WO2015058163A2

  公开（公告）日：2015-04-23

  The present invention provides novel compounds of Formula (I) and Formula (II), and pharmaceutically acceptable salts, solvates, hydrates, tautomers, stereoisomers, isotopically labeled derivatives, and compositions thereof. Also provided are methods and kits involving the compounds or compositions for treating or preventing proliferative diseases (e.g., cancers (e.g.,leukemia, melanoma, multiple myeloma), benign neoplasms, angiogenesis, inflammatory diseases, autoinflammatory diseases, and autoimmune diseases) in a subject. Treatment of a subject with a proliferative disease using a compound or composition of the invention may inhibit the aberrant activity of a kinase, such as a cyclin-dependent kinase (CDK) (e.g., cyclin-dependent kinase 7 (CDK7)), and therefore, induce cellular apoptosis and/or inhibit transcription in the subject. (I)
• [EN] HETEROMAROMATIC COMPOUNDS USEFUL FOR THE TREATMENT OF PROLFERATIVE DISEASES<br/>[FR] INHIBITEURS DE LA KINASE CYCLINE-DÉPENDANTE 7 (CDK7)
  申请人：SYROS PHARMACEUTICALS INC

  公开号：WO2015058163A3

  公开（公告）日：2015-06-11