8-(boc-氨基)-3-氮杂双环[3.2.1]辛烷 | 198210-17-2

• 物质功能分类: 医药中间体 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环庚烷
• 中文名称: 8-(boc-氨基)-3-氮杂双环[3.2.1]辛烷
• 英文名称: tert-butyl 3-azabicyclo[3.2.1]oct-8-yl-endo-carbamate
• 英文别名: [(rac)-8-endo-3-aza-bicyclo[3.2.1]oct-8-yl]-carbamic acid tert-butyl ester；8-(Boc-amino)-3-azabicyclo[3.2.1]octane；tert-butyl N-(3-azabicyclo[3.2.1]octan-8-yl)carbamate
• CAS: 198210-17-2
• 化学式: C₁₂H₂₂N₂O₂
• mdl: MFCD18249870
• 分子量: 226.319
• InChiKey: HHYUNZXSGVNMOY-UHFFFAOYSA-N

物化性质

• 沸点：
  339.8±31.0 °C(Predicted)
• 密度：
  1.07±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.916
• 拓扑面积：
  50.4
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P280,P305+P351+P338
• 危险性描述：
  H302

反应信息

• 作为反应物：
  描述：

  2-氯嘧啶 、 8-(boc-氨基)-3-氮杂双环[3.2.1]辛烷 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以61%的产率得到tert-butyl (3-pyrimidin-2-yl-3-azabicyclo[3.2.1]oct-8-yl)-exo-carbamate
  参考文献：
  名称：

  [EN] ADAMANTANE AND AZABICYCLO-OCTANE AND NONANE DERIVATIVES, PROCESS OF THEIR PREPARATION AND THEIR USE AS DPP-IV INHIBITORS
  [FR] NOUVEAUX COMPOSES

  摘要：

  公开号：

  WO2005021536A3
• 作为产物：
  描述：

  tert-butyl (3-benzyl-3-azabicyclo[3.2.1]oct-8-yl)-endo-carbamate 在 palladium 10% on activated carbon 氢气 作用下， 以 甲醇 为溶剂， 以96%的产率得到8-(boc-氨基)-3-氮杂双环[3.2.1]辛烷
  参考文献：
  名称：

  [EN] ADAMANTANE AND AZABICYCLO-OCTANE AND NONANE DERIVATIVES, PROCESS OF THEIR PREPARATION AND THEIR USE AS DPP-IV INHIBITORS
  [FR] NOUVEAUX COMPOSES

  摘要：

  公开号：

  WO2005021536A3

文献信息

• [EN] CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE<br/>[FR] INHIBITEURS DE LA CÉRAMIDE GALACTOSYLTRANSFÉRASE POUR LE TRAITEMENT DE MALADIES
  申请人：BIOMARIN PHARM INC

  公开号：WO2019104011A1

  公开（公告）日：2019-05-31

  Described herein are compounds, methods of making such compounds, pharmaceutical compositions and medicaments containing such compounds, and methods of using such compounds to treat or prevent diseases or disorders associated with the enzyme ceramide galactosyltransferase (CGT), such as, for example, lysosomal storage diseases. Examples of lysosomal storage diseases include, for example, Krabbe disease and Metachromatic Leukodystrophy.

  本发明涉及化合物、制造此类化合物的方法、包含此类化合物的药物组合物和药剂，以及使用此类化合物治疗或预防与鞘氨醇半乳糖基转移酶（CGT）相关疾病或失调的方法，例如，例如，溶酶体贮积病。溶酶体贮积病的例子包括，例如，克拉伯病和异染性脑白质营养不良。
• [EN] 7-PHENOXY-N-(3-AZABICYCLO[3.2.1]OCTAN-8-YL)-6,7-DIHYDRO-5H-PYRROLO[1,2-B][1,2,4]TRIAZOL-2-AMINE DERIVATIVES AND RELATED COMPOUNDS AS GAMMA-SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE<br/>[FR] DÉRIVÉS DE 7-PHÉNOXY-N-(3-AZABICYCLO[3.2.1]OCTAN-8-YL)-6,7-DIHYDRO-5H-PYRROLO[1,2-B][1,2,4]TRIAZOL-2-AMINE ET COMPOSÉS APPARENTÉS EN TANT QUE MODULATEURS DE GAMMA-SÉCRÉTASE POUR LE TRAITEMENT DE LA MALADIE D'ALZHEIMER
  申请人：HOFFMANN LA ROCHE

  公开号：WO2020120521A1

  公开（公告）日：2020-06-18

  The invention provides 7-phenoxy-N-(3-azabicyclo[3.2.1]octan-8-yl) -6,7-dihydro-5H-pyrrolo[l,2-b][l,2,4]triazol-2-amine derivatives and related compounds of the general formula (I) wherein R1, Ar, n and m are as described herein, compositions including the compounds, processes of manufacturing the compounds and the compounds for use in methods of medical treatment. The present compounds are as gamma-secretase modulators for the treatment of diseases associated with the deposition of β-amyloid in the brain, such as Alzheimer's disease, cerebral amyloid angiopathy, cochlear synaptopathy, hearing loss, hereditary cerebral hemorrhage with amyloidosis-Dutch type (HCHWA-D), multi-infarct dementia, dementia pugilistica and Down syndrome. The present description discloses the preparation of exemplary compounds as well as pharmacological data thereof (e.g. pages 54 to 74; examples 1 to 64; table). An exemplary compound is e.g. (R)-7-(3,5-difluorophenoxy)-N- ((lR,5S,8s)-3-(6-methoxypyridazin-4-yl)-3-azabicyclo[3.2.1]octan-8-yl) -6,7-dihydro-5H-pyrrolo[l,2-b][l,2,4]triazol-2-amine (example 1).

  该发明提供了一种7-苯氧基-N-(3-氮杂双环[3.2.1]辛烷-8-基)-6,7-二氢-5H-吡咯[1,2-b][1,2,4]三唑-2-胺衍生物及通式(I)所示的相关化合物，其中R1、Ar、n和m如本文所述，包括这些化合物的组合物、制造这些化合物的方法以及这些化合物在医疗治疗方法中的应用。目前的化合物是γ-分泌酶调节剂，用于治疗与大脑β-淀粉样蛋白沉积相关的疾病，如阿尔茨海默病、脑淀粉样血管病、耳蜗突触病、听力丧失、遗传性脑出血伴淀粉样变-Dutch型（HCHWA-D）、多梗塞性痴呆、拳击性痴呆和唐氏综合征。本说明披露了示例化合物的制备以及其药理数据（例如，第54至74页；示例1至64；表）。例如，一种示例化合物是(R)-7-(3,5-二氟苯氧基)-N-((1R,5S,8S)-3-(6-甲氧基吡啶并[3.2.1]辛烷-8-基)-6,7-二氢-5H-吡咯[1,2-b][1,2,4]三唑-2-胺（示例1）。
• [EN] BIFUNCTIONAL COMPOUNDS<br/>[FR] COMPOSÉS BIFONCTIONNELS
  申请人：HOFFMANN LA ROCHE

  公开号：WO2021086785A1

  公开（公告）日：2021-05-06

  The invention provides a bifunctional compound of formula (I), or a pharmaceutically acceptable salt thereof, wherein said Targeting Ligand, Linker and Degron are as described herein.

  这项发明提供了式(I)的双功能化合物，或其药学上可接受的盐，其中所述的靶向配体、连接剂和Degron如本文所述。
• CXCR4 chemokine receptor binding comounds
  申请人：——

  公开号：US20040209921A1

  公开（公告）日：2004-10-21

  The present invention relates to compounds that bind to chemokine receptors, and having the formula 1 wherein each A, X, Y, R 1 , R 2 and R 3 are substituents. The present invention also relates to methods of using such compounds, such as in treating HIV infection and inflammatory conditions such as rheumatoid arthritis. Furthermore, the present invention relates to methods to elevate progenitor and stem cell counts, as well as methods to elevate white blood cell counts, using such compounds.

  本发明涉及与趋化因子受体结合的化合物，其具有式1的结构，其中A、X、Y、R1、R2和R3均为取代基。本发明还涉及使用这类化合物的方法，例如在治疗HIV感染和炎症性疾病如类风湿性关节炎中的应用。此外，本发明还涉及使用这类化合物来提高祖细胞和干细胞计数的方法，以及提高白细胞计数的方法。
• [EN] PROCESS FOR THE PREPARATION EXO-TERT-BUTYL N-(3-AZABICYCLO[3.2.1]OCTAN-8-YL)CARBAMATE<br/>[FR] PROCÉDÉ DE PRÉPARATION D'EXO-TERT-BUTYL N-(3-AZABICYCLO[3.2.1]OCTAN-8-YL)CARBAMATE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2020136188A1

  公开（公告）日：2020-07-02

  The present invention relates to a process for the preparation of a compound (I) or pharmaceutically acceptable salt thereof, which is useful as the key intermediate for the synthesis of compounds for prophylaxis and treatment of a disease associated with the deposition of β-amyloid in the brain, in particular Alzheimer's disease, and other diseases such as cerebral amyloid angiopathy, hereditary cerebral hemorrhage with amyloidosis, Dutch-type (HCHWA-D), multi- infarct dementia, dementia pugilistica and Down syndrome.

  本发明涉及一种用于制备化合物(I)或其药学上可接受的盐的方法，该方法对于合成用于预防和治疗与β-淀粉样蛋白在大脑中沉积有关的疾病的化合物的关键中间体非常有用，特别是阿尔茨海默病，以及其他疾病，如脑淀粉样血管病，遗传性脑出血伴淀粉样蛋白沉积症，荷兰型(HCHWA-D)，多梗死性痴呆，拳击性痴呆和唐氏综合征。