spiro[8-azabicyclo[3.2.1]octane-3,2'-oxirane]-8-carboxylic acid tert-butyl ester | 918441-60-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: spiro[8-azabicyclo[3.2.1]octane-3,2'-oxirane]-8-carboxylic acid tert-butyl ester
• 英文别名: spiro[nortropane-3,2'-oxirane]-8-carboxylic acid tert-butyl ester
• CAS: 918441-60-8
• 化学式: C₁₃H₂₁NO₃
• 分子量: 239.315
• InChiKey: CPDRWKNXZSZLBV-IWIIMEHWSA-N

物化性质

• 沸点：
  332.9±35.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.32
• 重原子数：
  17.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  42.07
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  spiro[8-azabicyclo[3.2.1]octane-3,2'-oxirane]-8-carboxylic acid tert-butyl ester 在 三乙基硼氢化钠 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以77%的产率得到2-Methyl-2-propanyl (3-endo)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
  参考文献：
  名称：

  Aminophenyl derivatives as selective androgen receptor modulators

  摘要：

  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。

  公开号：

  US20060160845A1
• 作为产物：
  描述：

  N-Boc-nortropinone 在 sodium hydride 作用下， 以 二甲基亚砜 为溶剂， 反应 21.0h， 生成 spiro[8-azabicyclo[3.2.1]octane-3,2'-oxirane]-8-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Aminophenyl derivatives as selective androgen receptor modulators

  摘要：

  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。

  公开号：

  US20060160845A1

文献信息

• BICYCLOAMINE DERIVATIVES
  申请人：Ozaki Fumihiro

  公开号：US20090270369A1

  公开（公告）日：2009-10-29

  Compounds represented by formula (I) and pharmaceutically acceptable salts thereof have excellent sodium channel inhibitory action and are useful as therapeutic agents and analgesics for various kinds of neuralgia, neuropathy, epilepsy, insomnia, premature ejaculation and the like. wherein Q represents ethylene, etc., R 1 , R 2 and R 3 represent hydrogen, etc., X 1 represents C 1-6 alkylene, etc., X 2 represents C 1-6 alkylene, etc., A 1 represents a 5- to 6-membered heterocyclic group, etc., and A 2 represents C 6-14 aryl, etc.

  由式(I)表示的化合物及其药学上可接受的盐具有出色的钠通道抑制作用，并可用作治疗剂和各种神经痛、神经病、癫痫、失眠、早泄等的镇痛剂。其中Q代表乙烯等，R1、R2和R3代表氢等，X1代表C1-6烷基等，X2代表C1-6烷基等，A1代表5-至6-成员杂环基团等，A2代表C6-14芳基等。
• 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.
• WO2023/141323
  申请人：——

  公开号：——

  公开（公告）日：——