tert-butyl [cis-4-(dimethylamino)cyclohexyl]carbamate | 1031289-73-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: tert-butyl [cis-4-(dimethylamino)cyclohexyl]carbamate
• 英文别名: tert-butyl (1s,4s)-4-(dimethylamino)cyclohexylcarbamate
• CAS: 1031289-73-2
• 化学式: C₁₃H₂₆N₂O₂
• 分子量: 242.362
• InChiKey: BAKQGMLJAGYMQC-PHIMTYICSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.38
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  41.57
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  tert-butyl [cis-4-(dimethylamino)cyclohexyl]carbamate 在 盐酸 作用下， 以 乙酸乙酯 为溶剂， 反应 0.5h， 生成 cis-N1,N1-dimethylcyclohexane-1,4-diamine dihydrochloride
  参考文献：
  名称：

  [EN] IRE1 SMALL MOLECULE INHIBITORS
  [FR] PETITES MOLÉCULES INHIBITRICES D'IRE1

  摘要：

  本文提供了针对IRE1蛋白家族成员的小分子抑制剂。结合可以是直接的或间接的。此外，本文提供了使用IRE1小分子抑制剂用于治疗或改善受试者癌症的方法。此外，本文描述的IRE1小分子抑制剂用于治疗癌症，其中癌症是实体或血液系统的癌症。

  公开号：

  WO2018222918A1
• 作为产物：
  描述：

  cis tert-Butyl 4-aminocyclohexylcarbamate 、 聚合甲醛 在 sodium cyanoborohydride 作用下， 以 甲醇 为溶剂， 以71%的产率得到tert-butyl [cis-4-(dimethylamino)cyclohexyl]carbamate
  参考文献：
  名称：

  [EN] INHIBITORS OF CYCLIN-DEPENDENT KINASES
  [FR] INHIBITEURS DE KINASES CYCLINE-DÉPENDANTES

  摘要：

  公开号：

  WO2016160617A3

文献信息

• Inhibitors of cyclin-dependent kinases
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：US10550121B2

  公开（公告）日：2020-02-04

  The present invention provides novel compounds of Formula (I), (II), or (III), and pharmaceutically acceptable salts, solvates, hydrates, polymorphs, co-crystals, tautomers, stereoisomers, isotopically labeled derivatives, prodrugs, and compositions thereof. Also provided are methods and kits involving the inventive compounds or compositions for treating and/or preventing proliferative diseases (e.g., cancers (e.g., leukemia, acute lymphoblastic leukemia, lymphoma, Burkitt's lymphoma, melanoma, multiple myeloma, breast cancer, Ewing's sarcoma, osteosarcoma, brain cancer, ovarian cancer, neuroblastoma, lung cancer, colorectal cancer), benign neoplasms, diseases associated with 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., CDK7, CDK12, or CDK13), and therefore, induce cellular apoptosis and/or inhibit transcription in the subject.

  本发明提供了式(I)、(II)或(III)的新型化合物及其药学上可接受的盐、溶液剂、水合物、多晶型、共晶体、同系物、立体异构体、同位素标记的衍生物、原药及其组合物。还提供了涉及本发明化合物或组合物的方法和试剂盒，用于治疗和/或预防增殖性疾病（如癌症（如、白血病、急性淋巴细胞白血病、淋巴瘤、伯基特淋巴瘤、黑色素瘤、多发性骨髓瘤、乳腺癌、尤文氏肉瘤、骨肉瘤、脑癌、卵巢癌、神经母细胞瘤、肺癌、结直肠癌）、良性肿瘤、与血管生成相关的疾病、炎症性疾病、自身炎症性疾病和自身免疫性疾病）的方法和试剂盒。使用本发明的化合物或组合物治疗患有增殖性疾病的受试者，可抑制激酶的异常活性，如细胞周期蛋白依赖性激酶（CDK）（如CDK7、CDK12或CDK13），从而诱导细胞凋亡和/或抑制受试者的转录。
• INHIBITORS OF CYCLIN-DEPENDENT KINASES
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：US20190315747A9

  公开（公告）日：2019-10-17

  The present invention provides novel compounds of Formula (I), (II), or (III), and pharmaceutically acceptable salts, solvates, hydrates, polymorphs, co-crystals, tautomers, stereoisomers, isotopically labeled derivatives, prodrugs, and compositions thereof. Also provided are methods and kits involving the inventive compounds or compositions for treating and/or preventing proliferative diseases (e.g., cancers (e.g., leukemia, acute lymphoblastic leukemia, lymphoma, Burkitt's lymphoma, melanoma, multiple myeloma, breast cancer, Ewing's sarcoma, osteosarcoma, brain cancer, ovarian cancer, neuroblastoma, lung cancer, colorectal cancer), benign neoplasms, diseases associated with 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., CDK7, CDK12, or CDK13), and therefore, induce cellular apoptosis and/or inhibit transcription in the subject.
• IRE1 SMALL MOLECULE INHIBITORS
  申请人：Cornell University

  公开号：US20220251065A1

  公开（公告）日：2022-08-11

  Provided herein are small molecule inhibitors for the targeting or IRE1 protein family members. Binding may be direct or indirect. Further provided herein are methods of using IRE1 small molecule inhibitors for use in treating or ameliorating cancer in a subject. Moreover, IRE1 small molecule inhibitors described herein are for the treatment of cancer, where the cancer is a solid or hematologic cancer.
• [EN] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS<br/>[FR] HÉTÉROARYL AMIDES COMME INHIBITEURS DU TRANSPORT DE LA GLYCINE DE TYPE I
  申请人：PFIZER PROD INC

  公开号：WO2008065500A2

  公开（公告）日：2008-06-05

  [EN] The present invention relates to a series of substituted heteroaryl amides of the Formula I, wherein HET, A, X¹ -X⁴, and R¹-R¹² groups are defined as in the specification, that exhibit activity as glycine transport inhibitors, their pharmaceutically acceptable salts, pharmaceutical compositions containing them, and their use for the enhancement of cognition and the treatment of the positive and negative symptoms of schizophrenia and other psychoses in mammals, including humans.
  [FR] La présente invention concerne une série d'hétéroayl amides substitués de formule I, dans laquelle les groupes HET, A, X₁ à X₄, et R₁ à R₁₂ sont définis tels que dans la spécification, qui révèlent une activité en tant qu'inhibiteurs du transport de la glycine. La présente invention concerne également leurs sels pharmaceutiquement acceptables, les compositions pharmaceutiques les contenant, et leur utilisation dans l'amélioration de la cognition et le traitement des symptômes positifs et négatifs de la schizophrénie et d'autres psychoses chez les mammifères, y compris les humains.