2,6-二氮杂螺[4.5]癸烷-2-羧酸叔丁酯 | 1086394-55-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 中文名称: 2,6-二氮杂螺[4.5]癸烷-2-羧酸叔丁酯
• 中文别名: 2,6-二氮杂螺[4.5]癸烷-2-羧酸，1,1-二甲基乙基酯；2,6-二氮杂螺[4.5]癸烷-2-甲酸叔丁酯
• 英文名称: tert-butyl-2,6-diazaspiro[4.5]decane-2-carboxylate
• 英文别名: Tert-butyl 2,6-diazaspiro[4.5]decane-2-carboxylate
• CAS: 1086394-55-9
• 化学式: C₁₃H₂₄N₂O₂
• 分子量: 240.346
• InChiKey: LIBZZJJMJPLVQW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P280
• 危险性描述：
  H302,H312,H332

反应信息

• 作为反应物：
  描述：

  (3aS,4R,6S,6aR)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-6-carbaldehyde 、 2,6-二氮杂螺[4.5]癸烷-2-羧酸叔丁酯 在 三乙酰氧基硼氢化钠 作用下， 以 二氯甲烷 为溶剂， 以59 %的产率得到tert-butyl-6-{[(3aR,4R,6R,6aS)-6-{4-chloropyrrolo[2,3-d]pyrimidin-7-yl}-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methyl}-2,6-diazaspiro[4.5]decane-2-carboxylate
  参考文献：
  名称：

  [EN] SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION
  [FR] INHIBITEURS À PETITES MOLÉCULES SPÉCIFIQUES QUI BLOQUENT L'ACTIVITÉ ET LA FONCTION DE LA MÉTHYLTRANSFÉRASE KMT9

  摘要：

  The present invention relates to novel specific small molecule inhibitors that block KMT9 methyltransferase activity. In particular, the present invention is concerned with a compound of formula (I) wherein X1, X2, X3, X4, R1, R2, R3, R5, R6and L are as defined herein. Further, the present invention is concerned with a pharmaceutical composition comprising a pharmaceutically effective amount of the compound of formula (I). The present invention also relates to a compound of formula (I) and a pharmaceutical composition comprising a compound of formula (I) for use in medicine. Yet further, the present invention is concerned with a compound of formula (I) and a pharmaceutical composition comprising a compound of formula (I) for use as inhibitor of KMT9. Finally, the present invention is concerned with a compound of formula (I), wherein X1, X2, X3, X4, R1, R2, R3, R5, R6and L are as defined herein, for use in the treatment of cancer selected from the group as defined herein.

  公开号：

  WO2023017152A1

文献信息

• FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS
  申请人：Gilead Sciences, Inc.

  公开号：US20180148457A1

  公开（公告）日：2018-05-31

  The present disclosure relates to compounds that are CaM Kinase inhibitors and to their use in the treatment of various disease states, including atrial fibrillation and myocardial infarction. In particular embodiments, the general structure of the compounds is given by Formula I: wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 9 and R 10 are as described herein, to methods for the preparation and use of the compounds and to pharmaceutical compositions containing the same.

  本公开涉及的化合物是CaM激酶抑制剂，用于治疗各种疾病状态，包括心房颤动和心肌梗死。在特定实施例中，化合物的一般结构由公式I给出：其中R1、R2、R3、R4、R5、R6、R9和R10如本文所述，涉及化合物的制备和使用方法以及含有相同化合物的药物组合物。
• Fused heterocyclic compounds as CaM kinase inhibitors
  申请人：Gilead Sciences, Inc.

  公开号：US10100058B2

  公开（公告）日：2018-10-16

  The present disclosure relates to compounds that are CaM Kinase inhibitors and to their use in the treatment of various disease states, including atrial fibrillation and myocardial infarction. In particular embodiments, the general structure of the compounds is given by Formula I: wherein R1, R2, R3, R4, R5, R6, R9 and R10 are as described herein, to methods for the preparation and use of the compounds and to pharmaceutical compositions containing the same.

  本公开涉及作为 CaM 激酶抑制剂的化合物及其在治疗包括心房颤动和心肌梗塞在内的各种疾病状态中的用途。在特定的实施方案中，化合物的一般结构由式 I 给出： 其中 R1、R2、R3、R4、R5、R6、R9 和 R10 如本文所述。
• PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS
  申请人：Gilead Sciences, Inc.

  公开号：EP3548495A1

  公开（公告）日：2019-10-09
• [EN] PYRAZOLOPYRIMIDINE DERIVATIVES AS CAM KINASE INHIBITORS<br/>[FR] DÉRIVÉS DE PYRAZOLOPYRIMIDINE EN TANT QU'INHIBITEURS DE KINASE CAM
  申请人：GILEAD SCIENCES INC

  公开号：WO2018102384A1

  公开（公告）日：2018-06-07

  The present disclosure relates to compounds that are CaM Kinase inhibitors and to their use in the treatment of various disease states, including atrial fibrillation and myocardial infarction. In particular embodiments, the general structure of the compounds is given by Formula I: (I) wherein R1, R2, R3, R4, R5, R6, R9 and R10 are as described herein, to methods for the preparation and use of the compounds and to pharmaceutical compositions containing the same.