8-boc-2-氧杂-8-氮杂双环[3.2.1]辛烷 | 1408076-39-0

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 托烷生物碱
• 中文名称: 8-boc-2-氧杂-8-氮杂双环[3.2.1]辛烷
• 英文名称: tert-butyl 2-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
• 英文别名: 8-Boc-2-oxo-8-azabicyclo[3.2.1]octane
• CAS: 1408076-39-0
• 化学式: C₁₂H₁₉NO₃
• 分子量: 225.288
• InChiKey: SJGXXUBCKFNNGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  8-boc-2-氧杂-8-氮杂双环[3.2.1]辛烷 在 盐酸 、 sodium tetrahydroborate 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 2.0h， 生成 8-Azabicyclo[3.2.1]octan-2-ol
  参考文献：
  名称：

  泛-KRAS抑制剂及其在医药上的应用

  摘要：

  本发明涉及式(I)所述化合物，其立体异构体、互变异构体、氘代物或药用盐，其制备方法，含有该化合物的药用组合物，及其作为治疗和/或预防由KRAS突变介导的疾病的药物中的应用。#imgabs0#

  公开号：

  CN117736226A
• 作为产物：
  描述：

  二碳酸二叔丁酯 、 2-Azidocycloheptanon 在 iron(II)-tetra-tert-butylphthalocyaninato complex with an axial pyridine ligand 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以69%的产率得到8-boc-2-氧杂-8-氮杂双环[3.2.1]辛烷
  参考文献：
  名称：

  可溶性铁 (II)-酞菁催化的分子内 C(sp3)-H 胺化与烷基叠氮化物

  摘要：

  在此，我们描述了一种可溶性铁 ( II )-酞菁 [Fe II ( t Bu 4 Pc)(py) 2 ] (Pc = phthalocyaninato(2-))，作为分子内 C(sp 3 )-H的有效催化剂键胺化，以烷基叠氮化物为氮源，以中等至优异的产率提供胺化产物，底物范围广泛。

  DOI：

  10.1039/d1cc04573c

文献信息

• [EN] TETRAHYDROBENZOFURO[2,3-C]PYRIDINE AND BETA-CARBOLINE COMPOUNDS FOR THE TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH TAU AGGREGATES<br/>[FR] COMPOSÉS DE TÉTRAHYDROBENZOFURO[2,3-C]PYRIDINE ET DE BÊTA-CARBOLINE POUR LE TRAITEMENT, LE SOULAGEMENT OU LA PRÉVENTION DE TROUBLES ASSOCIÉS À DES AGRÉGATS DE PROTÉINE TAU
  申请人：AC IMMUNE SA

  公开号：WO2019233883A1

  公开（公告）日：2019-12-12

  The present invention relates to novel compounds of formula (I) that can be employed in the treatment, alleviation or prevention of a group of disorders and abnormalities associated with Tau (Tubulin associated unit) protein aggregates including, but not limited to, Neurofibrillary Tangles (NFTs), such as Alzheimer's disease (AD).

  本发明涉及一种可以用于治疗、缓解或预防与Tau（微管相关单元）蛋白聚集相关的一组疾病和异常的新化合物（I）的公式。这些疾病和异常包括但不限于神经原纤维缠结（NFTs），如阿尔茨海默病（AD）。
• Phenotypic Optimization of Urea–Thiophene Carboxamides To Yield Potent, Well Tolerated, and Orally Active Protective Agents against Aminoglycoside-Induced Hearing Loss
  作者：Sarwat Chowdhury、Kelly N. Owens、R. Jason Herr、Qin Jiang、Xinchao Chen、Graham Johnson、Vincent E. Groppi、David W. Raible、Edwin W Rubel、Julian A. Simon

  DOI：10.1021/acs.jmedchem.7b00932

  日期：2018.1.11

  Hearing loss is a major public health concern with no pharmaceutical intervention for hearing protection or restoration. Using zebrafish neuromast hair cells, a robust model for mammalian auditory and vestibular hair cells, we identified a ureathiophene carboxamide, 1 (ORC-001), as protective against aminoglycoside antibiotic (AGA)-induced hair cell death. The 50% protection (HC50) concentration conferred by 1 is 3.2 mu M with protection against 200 mu M neomycin approaching 100%. Compound 1 was sufficiently safe and drug-like to validate otoprotection in an in vivo rat hearing loss model. We explored the structureactivity relationship (SAR) of this compound series to improve otoprotective potency, improve pharmacokinetic properties and eliminate off-target activity. We present the optimization of 1 to yield 90 (ORC-13661). Compound 90 protects mechanosensory hair cells with HC50 of 120 nM and demonstrates 100% protection in the zebrafish assay and superior physiochemical, pharmacokinetic, and toxicologic properties, as well as complete in vivo protection in rats.
• TETRAHYDROBENZOFURO[2,3-C]PYRIDINE AND BETA-CARBOLINE COMPOUNDS FOR THE TREATMENT, ALLEVIATION OR PREVENTION OF DISORDERS ASSOCIATED WITH TAU AGGREGATES
  申请人：AC Immune SA

  公开号：EP3802533A1

  公开（公告）日：2021-04-14
• [EN] TRICYCLIC GPR65 MODULATORS<br/>[FR] MODULATEURS TRICYCLIQUES DE LA GPR65
  申请人：[en]PATHIOS THERAPEUTICS LIMITED

  公开号：WO2023067322A1

  公开（公告）日：2023-04-27

  One aspect of the invention relates to a compound of formula (I), or a pharmaceutically acceptable salt or solvate thereof, (I) wherein: ring B is: a monocyclic aromatic group; or a monocyclic or bicyclic heteroaromatic group, each of which is optionally substituted by halo, CN, OH, alkyl, haloalkyl, cycloalkyl, halocycloalkyl, hydroxycycloalkyl, O-cycloalkyl, alkoxy, haloalkoxy, heterocycloalkyl, O- heterocycloalkyl, aryl, heteroaryl, O-aryl, NHCO-alkenyl, NHCO-aryl, -(CH2)q-O-heteroaryl, CONH-aryl, aryloxy-alkyl, O-aralkyl, and CO2-alkyl, wherein said aryl, heteroaryl, heterocycloalkyl, O-cycloalkyl, NHCO-aryl, -(CH2)q-O-heteroaryl, CONH-aryl, aryloxy-alkyl, O-aralkyl, and O-aryl groups are each optionally further substituted by one or more groups independently selected from halo, alkyl, haloalkyl, alkoxy, NHCO-alkyl, NR13R13', SO2-alkyl, CN, hydroxyalkyl, CONR14R14', alkyl-NR15R15', heterocycloalkyl, alkyl-heterocycloalkyl, alkyl- cycloalkyl, aryl, (CH2)m-NHSO2-alkyl, CO2R16, alkoxy-alkyl, haloalkoxy, O-heterocycloalkyl, heteroaryl, alkoxy-alkoxy, and O-(CH2)p-cycloalkyl, where in the latter group, said cycloalkyl group is optionally further substituted by one or more halo, haloalkyl, alkyl or alkoxy groups; m is an integer from 0 to 3; p and q are each independently 0 to 3; Z is CR12; Y is CR10R10', wherein R10and R10'are each independently selected from H, F, alkyl, and haloalkyl; Raand Rbare each independently selected from H and alkyl; R6is selected from H, alkyl, cycloalkyl and hydroxyalkyl; R12is selected from H, alkyl, haloalkyl, halo, OH and O-alkyl; and R13, R13', R14, R14', R15, R15', and R16are each independently selected from H, alkyl, and alkoxyalkyl. Further aspects of the invention relate to compounds of formula (I) for use as a medicament, particularly in the field of immuno-oncology, immunology, and related applications.