cis-2-Aminomethylcycloheptanol

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: cis-2-Aminomethylcycloheptanol
• 英文别名: (1S,2S)-2-(aminomethyl)cycloheptan-1-ol
• 化学式: C₈H₁₇NO
• 分子量: 143.229
• InChiKey: DEEDWZHOSLMVCD-YUMQZZPRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  46.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  cis-2-Aminomethylcycloheptanol 在 lithium aluminium tetrahydride 、 甲酸 、 Pseudomonas cepacia lipase 作用下， 以 四氢呋喃 、 乙醚 为溶剂， 反应 280.0h， 生成 [(1R,2R)-2-[(dimethylamino)methyl]cycloheptyl] acetate
  参考文献：
  名称：

  Enzymatic resolution of 2-dialkylaminomethylcyclopentanols and -cycloheptanols

  摘要：

  Extensive lipase screening was performed in relation to the asymmetric acetylation of rac-2-dialkylaminomethylcyclanols 1-5. The lipase PS- and Novozym 435-catalysed resolutions of compounds 1-5 were based on asymmetric acylation of the secondary OH group at the R-stereogenic centre with various vinyl eaters, in different organic media. High enantioselectivity (E>200) was observed when vinyl acetate was used as acylating agent, with diethyl ether or with diisopropyl ether as solvent. The reaction rates were markedly affected by the size of the alicyclic ring, and by the solvent. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(99)00189-5
• 作为产物：
  描述：

  (4aS,9aS)-2-Phenyl-4,4a,5,6,7,8,9,9a-octahydro-cyclohepta[e][1,3]oxazine 在 palladium on activated charcoal 作用下， 以 乙醇 为溶剂， 80.0 ℃ 、7.09 MPa 条件下， 反应 7.0h， 以75%的产率得到cis-2-Aminomethylcycloheptanol
  参考文献：
  名称：

  Fueloep, Ferenc; Simon, Lajos; Simon-Talpas, Gizella, Synthetic Communications, 1998, vol. 28, # 12, p. 2303 - 2310

  摘要：

  DOI：

文献信息

• Acceleration of Mycobacterium growth
  申请人：ST GEORGE'S HOSPITAL MEDICAL SCHOOL

  公开号：US10633630B2

  公开（公告）日：2020-04-28

  The invention is in the field of growth of Mycobacteria. In particular, agents have been identified which enhance the growth of Mycobacterial species, which are naturally slow-growing. Such agents can therefore be used in the identification of Mycobacteria and in the diagnosis of Mycobacterial infections.

  本发明属于分枝杆菌生长领域。特别是，已经发现了能促进自然生长缓慢的分枝杆菌生长的制剂。因此，这些制剂可用于分枝杆菌的鉴定和分枝杆菌感染的诊断。
• Discovery of Potent Inhibitors of Dihydroneopterin Aldolase Using CrystaLEAD High-Throughput X-ray Crystallographic Screening and Structure-Directed Lead Optimization
  作者：William J. Sanders、Vicki L. Nienaber、Claude G. Lerner、J. Owen McCall、Sean M. Merrick、Susan J. Swanson、John E. Harlan、Vincent S. Stoll、Geoffrey F. Stamper、Stephen F. Betz、Kevin R. Condroski、Robert P. Meadows、Jean M. Severin、Karl A. Walter、Peter Magdalinos、Clarissa G. Jakob、Rolf Wagner、Bruce A. Beutel

  DOI：10.1021/jm030497y

  日期：2004.3.1

  Potent inhibitors of 7,8-dihydroneopterin aldolase (DHNA; EC 4.1.2.25) have been discovered using CrystaLEAD X-ray crystallographic high-throughput screening followed by structure-directed optimization. Screening of a 10 000 compound random library provided several low affinity leads and their corresponding X-ray crystal structures bound to the enzyme. The presence of a common structural feature in each of the leads suggested a strategy for the construction of a directed library of approximately 1000 compounds that were screened for inhibitory activity in a traditional enzyme assay. Several lead compounds with IC50 values of about 1 muM against DHNA were identified, and crystal structures of their enzyme-bound complex's were obtained by cocrystallization. Structure-directed optimization of one of the leads thus identified afforded potent inhibitors with submicromolar IC50 values.
• SMALL CATIONIC ANTIMICROBIAL PEPTIDES
  申请人：THE UNIVERSITY OF BRITISH COLUMBIA

  公开号：EP2061886A1

  公开（公告）日：2009-05-27
• EP2061886B1
  申请人：——

  公开号：EP2061886B1

  公开（公告）日：2014-05-07
• ACCELERATION OF MYCOBACTERIUM GROWTH
  申请人：St. George's Hospital Medical School

  公开号：EP3158053A1

  公开（公告）日：2017-04-26