3,9-二氮杂双环[3.3.1]壬烷-3-羧酸叔丁酯 | 1823500-01-1

• 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: 3,9-二氮杂双环[3.3.1]壬烷-3-羧酸叔丁酯
• 英文名称: tert-butyl 3,9-diazabicyclo[3.3.1]nonane-3-carboxylate
• CAS: 1823500-01-1
• 化学式: C₁₂H₂₂N₂O₂
• mdl: MFCD28098139
• 分子量: 226.319
• InChiKey: NRSXXKHXMGDSKT-UHFFFAOYSA-N

物化性质

• 沸点：
  313.8±17.0 °C(Predicted)
• 密度：
  1.052±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.916
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-(4-碘苯基)-4-甲氧基苯甲酰胺 、 3,9-二氮杂双环[3.3.1]壬烷-3-羧酸叔丁酯 在 methanesulfonato(2-dicyclohexylphosphino-2’,6’-di-i-propoxy-1,1’-biphenyl)(2’-methylamino-1,1‘-biphenyl-2-yl)palladium(II) 、 caesium carbonate 、 sodium t-butanolate 、 2-二环己基磷-2',6'-二异丙氧基-1,1'-联苯 作用下， 以 1,4-二氧六环 为溶剂， 以28 %的产率得到tert-butyl 9-(4-(4-methoxybenzamido)phenyl)-3,9-diazabicyclo[3.3.1]nonane-3-carboxylate
  参考文献：
  名称：

  A Novel Brain PET Radiotracer for Imaging Alpha Synuclein Fibrils in Multiple System Atrophy

  摘要：

  DOI：

  10.1021/acs.jmedchem.3c00779

文献信息

• [EN] HETEROBICYCLIC COMPOUNDS FOR INHIBITING THE ACTIVITY OF SHP2<br/>[FR] COMPOSÉS HÉTÉROBICYCLIQUES POUR INHIBER L'ACTIVITÉ DE SHP2
  申请人：TAIHO PHARMACEUTICAL CO LTD

  公开号：WO2020022323A1

  公开（公告）日：2020-01-30

  A compound of formula (I):wherein Ring A, Q, R1,R2, R3, R4, R5, R6, R7, R8, R9, R10, R11,X, a,b, c and d are as defined in the specification.

  其中环A，Q，R1，R2，R3，R4，R5，R6，R7，R8，R9，R10，R11，X，a，b，c和d的化合物的化学式（I）：在规范中定义。
• [EN] THERAPEUTIC PYRIDAZINE COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS THÉRAPEUTIQUES DE PYRIDAZINE ET LEURS UTILISATIONS
  申请人：GENENTECH INC

  公开号：WO2016138114A1

  公开（公告）日：2016-09-01

  The present invention relates to compounds of formula (I): (I) and salts thereof, wherein: R1-R4 have any of the values defined in the specification, and compositions and uses thereof. The compounds are useful as inhibitors of BRG1, BRM and/or PB1. Also included are pharmaceutical compositions comprising a compound of formula (I) or a pharmaceutically acceptable salt thereof, and methods of using such compounds and salts in the treatment of various BRG1-mediated disorders, BRM-mediated disorders and/or PB1-mediated disorders.

  本发明涉及式(I)的化合物及其盐，其中：R1-R4具有规范中定义的任何值，以及其组合物和用途。这些化合物可用作BRG1、BRM和/或PB1的抑制剂。还包括包含式(I)的化合物或其药学上可接受的盐的药物组合物，以及在治疗各种BRG1介导的疾病、BRM介导的疾病和/或PB1介导的疾病中使用这些化合物和盐的方法。
• WO2019167000A5
  申请人：——

  公开号：WO2019167000A5

  公开（公告）日：2023-06-26
• HETEROBICYCLIC COMPOUNDS FOR INHIBITING THE ACTIVITY OF SHP2
  申请人：Taiho Pharmaceutical Co., Ltd.

  公开号：EP3827009A1

  公开（公告）日：2021-06-02
• COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS
  申请人：Agency For Science, Technology and Research

  公开号：US20190071416A1

  公开（公告）日：2019-03-07

  Compounds For Inhibition Of Cancer and Epigenesis. The present invention relates to quinolines and 5,6,7,8-tetrahydroacridines of the formula (I) wherein Z 1 , Z 2 , X, R 1 to R 8 and Y are defined as described in the specification, or a pharmaceutically acceptable form or prodrug thereof, that are inhibitors of methyl transferases such as protein lysine methyltransferases and more particularly SMYD3. The present invention also relates to the methods for their preparation, pharmaceutical compositions containing these compounds and uses of these compounds in the treatment of disorders/conditions/diseases involving, relating to or associated with enzymes having methyl transferase activities/functions and/or via unspecified/multi-targeted mechanisms.