(1S,4S)-2-Thia-5-azabicyclo<2.2.1>heptane | 125224-46-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻嗪类
• 英文名称: (1S,4S)-2-Thia-5-azabicyclo<2.2.1>heptane
• 英文别名: (1S,4S)-2-sulfur-5-azabicyclo[2.2.1 ]heptane；(1S,4S)-2-thia-5-azabicyclo[2.2.1]heptane
• CAS: 125224-46-6
• 化学式: C₅H₉NS
• 分子量: 115.199
• InChiKey: LTQBUWVDIKUNHJ-WHFBIAKZSA-N

物化性质

• 沸点：
  197.0±15.0 °C(Predicted)
• 密度：
  1.143±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,4-二氟硝基苯 、 (1S,4S)-2-Thia-5-azabicyclo<2.2.1>heptane 在 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 生成 4-[(1S,4S)-2-thia-5-azabicyclo[2.2.1]heptan-5-yl]-fluoronitrobenzene
  参考文献：
  名称：

  Bicyclic oxazine and thiazine oxazolidinone antibacterials

  摘要：

  式(I)的苯基噁唑烷酮化合物或其药学上可接受的盐，其特征是具有双环噻嗪或噁唑基团。这些化合物是有用的抗微生物剂，对多种人类和兽医病原体具有有效作用，包括革兰氏阳性厌氧细菌，如多重耐药葡萄球菌、链球菌和肠球菌，以及厌氧生物，如Bacteroides属和Clostridia属物种，以及耐酸生物，如结核分枝杆菌、分枝杆菌和分枝杆菌属。

  公开号：

  US05952324A1
• 作为产物：
  描述：

  (1S,4S)-2-Thia-5-(t-butoxycarbonyl)-5-azabicyclo<2.2.1>heptane 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以100%的产率得到(1S,4S)-2-Thia-5-azabicyclo<2.2.1>heptane
  参考文献：
  名称：

  The synthesis and biological evaluation of a novel series of C7 non-basic substituted fluoroquinolones as antibacterial agents

  摘要：

  A series of non-basic building blocks was synthesized and introduced to the C7 position of the quinolone nucleus 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid to afford the corresponding. fluoroquinolones in 46-85% yield. The antibacterial activity of these new. fluoroquinolones was evaluated using a standard broth microdilution technique. The sulfur-containing quinolone, 7-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid exhibited a superior antibacterial activity against quinolone-susceptible and multidrug-resistant strains in comparison with the clinically used fluoroquinolones ciprofloxacin and vancomycin, especially to the Streptococcus pneumonia and multidrug-resistant S. pneumonia clinical isolates. Crown Copyright (C) 2009 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.06.006

文献信息

• BTK抑制剂及其用途
  申请人：广东东阳光药业有限公司

  公开号：CN105399756B

  公开（公告）日：2019-06-25

  本发明提供一种BTK抑制剂化合物(如式(I)所示的结构)及其在药物中的用途。本发明提供的化合物及其药物组合物可用于治疗弥漫性大B细胞淋巴瘤、滤泡性淋巴瘤或慢性淋巴细胞白血病。
• ETHER DERIVATIVES OF BICYCLIC HETEROARYLS
  申请人：Chen Bei

  公开号：US20120165310A1

  公开（公告）日：2012-06-28

  The invention relates to compounds of formula I, wherein the substituents are as defined in the specification; to processes for the preparation of such compounds; pharmaceutical compositions comprising such compounds; such compounds as a medicament; such compounds for the treatment of a proliferative disease.

  本发明涉及式I的化合物，其中取代基如规范中所定义；制备此类化合物的方法；包含此类化合物的制药组合物；此类化合物作为药物；此类化合物用于治疗增生性疾病。
• The synthesis and biological evaluation of a novel series of C7 non-basic substituted fluoroquinolones as antibacterial agents
  作者：Xiaoguang Huang、Dongliang Chen、Ning Wu、Aiqin Zhang、Zhenhua Jia、Xingshu Li

  DOI：10.1016/j.bmcl.2009.06.006

  日期：2009.8

  A series of non-basic building blocks was synthesized and introduced to the C7 position of the quinolone nucleus 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid to afford the corresponding. fluoroquinolones in 46-85% yield. The antibacterial activity of these new. fluoroquinolones was evaluated using a standard broth microdilution technique. The sulfur-containing quinolone, 7-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid exhibited a superior antibacterial activity against quinolone-susceptible and multidrug-resistant strains in comparison with the clinically used fluoroquinolones ciprofloxacin and vancomycin, especially to the Streptococcus pneumonia and multidrug-resistant S. pneumonia clinical isolates. Crown Copyright (C) 2009 Published by Elsevier Ltd. All rights reserved.
• Bicyclic oxazine and thiazine oxazolidinone antibacterials
  申请人：Pharmacia & Upjohn Company

  公开号：US05952324A1

  公开（公告）日：1999-09-14

  Phenyloxazolidinone compound of formula (I)or a pharmaceutically acceptable salt thereof characterized by a bicyclic thiazine or oxazine substituent. The compounds are useful antimicrobial agents, effective against a number of human and veterinary pathogens, including gram-positive aerobic bacteria such as multiply-resistant staphylococci, streptococci and enterococci as well as anaerobic organisms such as Bacteroides spp. and Clostridia spp. species, and acid-fast organisms such as Mycobacterium tuberculosis, Mycobacterium avium and Mycobacterium spp.

  式(I)的苯基噁唑烷酮化合物或其药学上可接受的盐，其特征是具有双环噻嗪或噁唑基团。这些化合物是有用的抗微生物剂，对多种人类和兽医病原体具有有效作用，包括革兰氏阳性厌氧细菌，如多重耐药葡萄球菌、链球菌和肠球菌，以及厌氧生物，如Bacteroides属和Clostridia属物种，以及耐酸生物，如结核分枝杆菌、分枝杆菌和分枝杆菌属。