3,6-二氮杂双环[3.1.1]庚烷-6-羧酸叔丁酯盐酸盐 | 1384424-52-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 3,6-二氮杂双环[3.1.1]庚烷-6-羧酸叔丁酯盐酸盐
• 英文名称: tert-butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate hydrochloride
• 英文别名: tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate hydrochloride；tert-butyl 3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;hydrochloride
• CAS: 1384424-52-5
• 化学式: C₁₀H₁₈N₂O₂*ClH
• 分子量: 234.726
• InChiKey: UMGNFLGKWBKYAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.39
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  41.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3,6-二氮杂双环[3.1.1]庚烷-6-羧酸叔丁酯盐酸盐 、 N-(4-((4-cyclobutylpiperidin-1-yl)sulfonyl)phenyl)-5-formyl-2-(N-methylmethylsulfonamido)benzamide 在 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 1,2-二氯乙烷 为溶剂， 以55 %的产率得到tert-butyl 3-(3-((4-((4-cyclobutylpiperidin-1-yl)sulfonyl)phenyl)carbamoyl)-4-(N-methylmethylsulfonamido)benzyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
  参考文献：
  名称：

  [EN] LPXH INHIBITORS AS ANTI-INFECTIVE AGENTS
  [FR] INHIBITEURS DE LPXH EN TANT QU'AGENTS ANTI-INFECTIEUX

  摘要：

  The present invention relates to compounds of formula (IIIa), which are suitable for use as anti-infectives, particularly as antibiotics. X1is N or CH. …. is a single or a double bond. When …. is a single bond then X2is selected from the group consisting of CH, N, and N(O), and Y is selected from the group consisting of optionally substituted C3-C10alkyl, optionally substituted C3-C8cycloalkyl, optionally substituted phenyl, and optionally substituted 6-membered heteroaryl. When …. is a double bond then X2is C, and, and Y is selected from the group consisting of optionally substituted C3-C10alkylidene, and optionally substituted C3-C8cycloalkylidene. E is CH, C-OMe or N. Each instance of Z2is independently selected from CH, CF and N. The invention further relates to the use of such compounds in therapeutic applications, as well as pharmaceutical composition comprising such compounds.

  公开号：

  WO2022220725A1

文献信息

• THERAPEUTIC COMPOUNDS
  申请人：Gilead Sciences, Inc.

  公开号：US20180118734A1

  公开（公告）日：2018-05-03

  Compounds disclosed herein including compounds of Formula I: and salts thereof are provided. Pharmaceutical compositions comprising compounds disclosed herein, processes for preparing compounds disclosed herein, intermediates useful for preparing compounds disclosed herein and therapeutic methods for treating an HIV infection using compounds disclosed herein are also provided.

  本文披露的化合物包括式I的化合物及其盐。还提供了包括本文披露的化合物的药物组合物，用于制备本文披露的化合物的方法，用于制备本文披露的化合物的有用中间体，以及使用本文披露的化合物治疗HIV感染的治疗方法。
• [EN] ANTAGONIST COMPOUNDS<br/>[FR] COMPOSÉS ANTAGONISTES
  申请人：ADORX THERAPEUTICS LTD

  公开号：WO2022023772A1

  公开（公告）日：2022-02-03

  The present invention relates to compounds of formula (I) shown below: wherein R1, R2, R3, R4, R5 and R6 are each as defined in the application. The present invention also relates to processes for the preparation of these compounds, to pharmaceutical compositions comprising them, and to their use in the treatment of diseases or conditions in which adenosine A2a and/or A2b receptor activity is implicated, such as, for example, cancer.

  本发明涉及如下所示的式(I)化合物：其中R1、R2、R3、R4、R5和R6在申请中各自定义。本发明还涉及制备这些化合物的方法，包括含有它们的药物组合物，以及它们在治疗腺苷A2a和/或A2b受体活性参与的疾病或病况中的用途，例如癌症。
• [EN] LPXH INHIBITORS AS ANTI-INFECTIVE AGENTS<br/>[FR] INHIBITEURS DE LPXH EN TANT QU'AGENTS ANTI-INFECTIEUX
  申请人：[en]ZAMARATSKI, Edouard

  公开号：WO2022220725A1

  公开（公告）日：2022-10-20

  The present invention relates to compounds of formula (IIIa), which are suitable for use as anti-infectives, particularly as antibiotics. X1is N or CH. …. is a single or a double bond. When …. is a single bond then X2is selected from the group consisting of CH, N, and N(O), and Y is selected from the group consisting of optionally substituted C3-C10alkyl, optionally substituted C3-C8cycloalkyl, optionally substituted phenyl, and optionally substituted 6-membered heteroaryl. When …. is a double bond then X2is C, and, and Y is selected from the group consisting of optionally substituted C3-C10alkylidene, and optionally substituted C3-C8cycloalkylidene. E is CH, C-OMe or N. Each instance of Z2is independently selected from CH, CF and N. The invention further relates to the use of such compounds in therapeutic applications, as well as pharmaceutical composition comprising such compounds.