2,5-Diazabicyclo[2.2.2]octane, (1S)- | 194600-16-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2,5-Diazabicyclo[2.2.2]octane, (1S)-
• 英文别名: (4S)-2,5-diazabicyclo[2.2.2]octane
• CAS: 194600-16-3
• 化学式: C₆H₁₂N₂
• 分子量: 112.17
• InChiKey: DJWDAKFSDBOQJK-ZBHICJROSA-N

物化性质

• 沸点：
  196.3±8.0 °C(Predicted)
• 密度：
  0.975±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  24.1
• 氢给体数：
  2
• 氢受体数：
  2

文献信息

• NOVEL 3-AMINOALKYL-1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF
  申请人：FOULON Loic

  公开号：US20110059955A1

  公开（公告）日：2011-03-10

  The present invention relates to novel 3-aminoalkyl-1,3-dihydro-2H-indol-2-one derivatives, to their preparation and to their therapeutic application. The compounds of the present invention correspond to the formula (I): in which the variables are as set forth in the specification. These compounds exhibit a strong affinity and a high selectivity for human arginine-vasopressin (AVP) V 1a receptors and some compounds additionally exhibit a strong affinity for AVP V 1b receptors.

  本发明涉及新颖的3-氨基烷基-1,3-二氢-2H-吲哚-2-酮衍生物，其制备以及其治疗应用。本发明的化合物对应于式(I)： 其中变量如规范中所述。这些化合物表现出对人类精氨酸加压素（AVP）V1a受体具有强亲和力和高选择性，而且一些化合物还表现出对AVP V1b受体具有强亲和力。
• CHIRAL DIARYL MACROCYCLE AND USE THEREOF IN THE TREATMENT OF CANCER
  申请人：Turning Point Therapeutics, Inc.

  公开号：EP3733187A1

  公开（公告）日：2020-11-04

  This disclosure relates to the use of certain diaryl macrocycle compounds, specifically (7S,13R)-11-fluoro-7,13-dimethyl-6,7,13,14-tetrahydro-1,15-ethenopyrazolo[4,3-f][1,4,8,10]benzoxatriazacyclotridecin-4(5H)-one in the treatment of disease in mammals. This disclosure also relates to compositions including such compounds, and to methods of using such compositions in the treatment of diseases in mammals, especially in humans.

  本公开涉及某些二芳基大环化合物，特别是(7S,13R)-11-氟-7,13-二甲基-6,7,13,14-四氢-1,15-苯并吡唑并[4,3-f][1,4,8,10]苯并氧杂三氮杂环十三烷-4(5H)-酮在治疗哺乳动物疾病中的用途。本公开还涉及包括此类化合物的组合物，以及使用此类组合物治疗哺乳动物，尤其是人类疾病的方法。
• Methods of producing heteropolycycles via bis-epoxidation
  申请人：Lightner Derek Alton

  公开号：US10231970B2

  公开（公告）日：2019-03-19

  A method of synthesizing a heteropolycycle, the method involving: reacting a bisepoxide with a first heteroatom nucleophile, to obtain a mixture comprising a diol compound; and further processing, to obtain the heteropolycycle with at least two heteroatoms within its polycyclic backbone, wherein each nitrogen within the polycyclic backbone of the heteropolycycle is introduced into the polycyclic backbone via an amine nucleophile.

  一种合成杂多环的方法，该方法包括：使双环氧化物与第一杂原子亲核剂反应，得到包含二元醇化合物的混合物；进一步处理，得到在其多环骨架内具有至少两个杂原子的杂多环，其中杂多环的多环骨架内的每个氮都通过胺亲核剂引入多环骨架。
• Mixtures of Heteropolycycles
  申请人：Lightner Derek Alton

  公开号：US20160158229A1

  公开（公告）日：2016-06-09

  A mixture of heteropolycycles has preferably two particular heteropolycycles and more preferably, no more than 10 wt. %, 5 wt. %, 2.5 wt. %, 1 wt. %, 0.5 wt. %, 0.1 wt. %, 0.01 wt. %, 0.001 wt. %, or no more than a detectable amount of one of the two.
• METHODS OF PRODUCING HETEROPOLYCYCLES VIA BIS-EPOXIDATION
  申请人：Lightner Derek Alton

  公开号：US20170305907A1

  公开（公告）日：2017-10-26

  A method of synthesizing a heteropolycycle, the method involving: reacting a bisepoxide with a first heteroatom nucleophile, to obtain a mixture comprising a diol compound; and further processing, to obtain the heteropolycycle with at least two heteroatoms within its polycyclic backbone, wherein each nitrogen within the polycyclic backbone of the heteropolycycle is introduced into the polycyclic backbone via an amine nucleophile.