2-Methyl-2-propanyl (3-endo)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate | 870889-86-4

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 托烷生物碱
• 英文名称: 2-Methyl-2-propanyl (3-endo)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
• 英文别名: tert-butyl-3-hydroxy-3-methyl-8-azabicyclo(3.2.1)octane-8-carboxylate；tert-butyl (1R,3S,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate；3-endo-hydroxy-3-exo-methyl-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester
• CAS: 870889-86-4
• 化学式: C₁₃H₂₃NO₃
• 分子量: 241.331
• InChiKey: SLERKVCWNKEZEG-IWIIMEHWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  49.77
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-Methyl-2-propanyl (3-endo)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate 在 四丁基溴化铵 、 sodium hydride 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 (1R,3S,5S)-3-({5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl}methoxy)-3-methyl-8-azabicyclo[3.2.1]octane
  参考文献：
  名称：

  氮杂双环辛烷类衍生物、其制备方法及其在医药上的用途

  摘要：

  本发明涉及氮杂双环[3.2.1]辛烷类衍生物、其制备方法及其在医药上的应用。具体而言，本发明涉及一种通式(I)所示的氮杂双环[3.2.1]辛烷类衍生物、其制备方法及其可药用的盐，以及它们作为治疗剂，特别是FXR激动剂的用途，其中通式(I)中的各取代基的定义与说明书中的定义相同。

  公开号：

  CN110357875B
• 作为产物：
  描述：

  (3-endo)-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester 在 silica gel 作用下， 以 正己烷 、 乙酸乙酯 为溶剂， 生成 2-Methyl-2-propanyl (3-endo)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
  参考文献：
  名称：

  [EN] PYRIMIDINE DERIVATIVES AS GPCR MODTTLATORS FOR USE IN THE TREATMENT OF OBESITY AND DIABETES
  [FR] DÉRIVÉS DE PYRIMIDINE EN TANT QUE MODULATEURS DE RCPG POUR UNE UTILISATION D'UN TRAITEMENT DE L'OBÉSITÉ ET DU DIABÈTE

  摘要：

  本发明涉及式(I)的吡啶衍生物，包含吡啶衍生物的组合物，以及使用吡啶衍生物治疗或预防肥胖、糖尿病、糖尿病并发症、代谢紊乱、心血管疾病或与患者体内G蛋白偶联受体（GPCR）活性相关的疾病的方法。

  公开号：

  WO2010075269A1

文献信息

• Aminophenyl derivatives as selective androgen receptor modulators
  申请人：Schlienger Nathalie

  公开号：US20060160845A1

  公开（公告）日：2006-07-20

  Disclosed herein is a novel class of aminophenyl compounds having the structure: wherein R 1 is cyano or nitro and ring A is a bi- or tricyclic bridged heterocycle and to their use as modulators of androgen receptor for the treatment or prevention of conditions relating thereto.

  本文揭示了一类新颖的氨基苯基化合物，其结构为：其中R1为氰基或硝基，环A为双环或三环桥联杂环，并且它们可用作雄激素受体调节剂，用于治疗或预防相关疾病。
• Photocatalytic C−C Bond Cleavage and Amination of Cycloalkanols by Cerium(III) Chloride Complex
  作者：Jing-Jing Guo、Anhua Hu、Yilin Chen、Jianfeng Sun、Haoming Tang、Zhiwei Zuo

  DOI：10.1002/anie.201609035

  日期：2016.12.5

  A general strategy for the cleavage and amination of C−C bonds of cycloalkanols has been achieved through visible‐light‐induced photoredox catalysis utilizing a cerium(III) chloride complex. This operationally simple methodology has been successfully applied to a wide array of unstrained cyclic alcohols, and represents the first example of catalytic C−C bond cleavage and functionalization of unstrained

  通过使用氯化铈（III）络合物的可见光诱导的光氧化还原催化，已经实现了环烷醇的C-C键裂解和胺化的一般策略。这种操作简单的方法已成功地应用于各种各样的非应变环醇，并代表了催化的CC键裂解和非应变仲环烷醇功能化的第一个例子。
• Dopamine D2 receptor ligands
  申请人：The Broad Institute, Inc.

  公开号：US10633336B2

  公开（公告）日：2020-04-28

  The present invention relates to novel dopamine D2 receptor ligands. The invention further relates to functionally-biased dopamine D2 receptor ligands and the use of these compounds for treating or preventing central nervous system and systemic disorders associated with dysregulation of dopaminergic activity. The present invention relates to novel compounds that modulate dopamine D2 receptors. In particular, compounds of the present invention show functional selectivity at the dopamine D2 receptors and exhibit selectivity downstream of the D2 receptors, on the 0-arrestin pathway and/or on the cAMP pathway.

  本发明涉及新型多巴胺D2受体配体。本发明进一步涉及具有功能偏倚的多巴胺 D2 受体配体，以及使用这些化合物治疗或预防与多巴胺能活性失调相关的中枢神经系统和全身性疾病。本发明涉及调节多巴胺 D2 受体的新型化合物。特别是，本发明的化合物在多巴胺 D2 受体上表现出功能选择性，并在 D2 受体下游、0-arrestin 通路和/或 cAMP 通路上表现出选择性。
• Synthesis, Structure−Activity Relationships, and Characterization of Novel Nonsteroidal and Selective Androgen Receptor Modulators
  作者：Nathalie Schlienger、Birgitte W. Lund、Jan Pawlas、Fabrizio Badalassi、Fabio Bertozzi、Rasmus Lewinsky、Alma Fejzic、Mikkel B. Thygesen、Ali Tabatabaei、Stefania Risso Bradley、Luis R. Gardell、Fabrice Piu、Roger Olsson

  DOI：10.1021/jm901149c

  日期：2009.11.26

  Herein we describe the discovery of ACP-105 (1), a novel and potent nonsteroidal selective androgen receptor modulator (SARM) with partial agonist activity relative to the natural androgen testosterone. Compound 1 was developed from a series of compounds found in a HTS screen using the receptor selection and amplification technology (R-SAT). In vivo, 1 improved anabolic parameters in a 2-week chronic study in castrated male rats. In addition to compound 1, a number of potent antiandrogens were discovered from the same series of compounds whereof one compound, 13, had antagonist activity at the AR T877A mutant involved in prostate cancer.
• DOPAMINE D2 RECEPTOR LIGANDS
  申请人：The Broad Institute, Inc.

  公开号：US20180155283A1

  公开（公告）日：2018-06-07

  The present invention relates to novel dopamine D2 receptor ligands. The invention further relates to functionally-biased dopamine D2 receptor ligands and the use of these compounds for treating or preventing central nervous system and systemic disorders associated with dysregulation of dopammode inergic activity. The present invention relates to novel compounds that modulate dopamine D2 receptors. In particular, compounds of the present invention show functional selectivity at the dopamine D2 receptors and exhibit selectivity downstream of the D2 receptors, on the 0-arrestin pathway and/or on the cAMP pathway.