((1S,2S)-2-aminocyclopentyl)methanol | 359586-62-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: ((1S,2S)-2-aminocyclopentyl)methanol
• 英文别名: [(1S,2S)-2-aminocyclopentyl]methanol
• CAS: 359586-62-2
• 化学式: C₆H₁₃NO
• 分子量: 115.175
• InChiKey: JFLVVCGMJYMWML-RITPCOANSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  8
• 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：

  ((1S,2S)-2-aminocyclopentyl)methanol 在 盐酸 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 三乙胺 作用下， 以 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成
  参考文献：
  名称：

  Novel benzoxazole inhibitors of mPGES-1

  摘要：

  A novel series of potent benzoxazole mPGES-1 inhibitors has been derived from a hit from a high throughput screen. Compound 37 displays mPGES-1 inhibition in an enzyme assay (0.018 mu M) and PGE-2 inhibition in a cell-based assay (0.034 mu M). It demonstrates 500- and 2500-fold selectivity for mPGES-1 over COX-2 and 6-keto PGF-1 alpha, respectively. In vivo PK studies in dogs demonstrate 55% oral bioavailability and an 7 h half-life. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.10.040
• 作为产物：
  描述：

  (1S,2S)-2-hydroxymethyl-cyclopentyl-[(1'S)-phenylethyl]amine hydrochloride 在 palladium on activated charcoal 甲酸铵 作用下， 以 甲醇 为溶剂， 以0.6%的产率得到((1S,2S)-2-aminocyclopentyl)methanol
  参考文献：
  名称：

  一种有效的途径制取反式-2-氨基环戊烷羧酸的对映异构体。

  摘要：

  DOI：

  10.1021/jo010279h

文献信息

• TRICYCLIC INHIBITORS OF HEPATITIS B VIRUS
  申请人：IRBM S.P.A.

  公开号：EP3608326A1

  公开（公告）日：2020-02-12

  The present invention relates to compounds that are inhibitors of hepatitis B virus (HBV). Compounds of this invention are useful alone or in combination with other agents for treating, ameliorating, preventing or curing HBV infection and related conditions. The present invention also relates to pharmaceutical compositions containing said compounds.

  本发明涉及作为乙型肝炎病毒（HBV）抑制剂的化合物。本发明的化合物可单独使用或与其他药物联合使用，用于治疗、改善、预防或治愈 HBV 感染及相关病症。本发明还涉及含有上述化合物的药物组合物。
• Aminothiazolones as potent, selective and cell active inhibitors of the PIM kinase family
  作者：Camilo E. Quevedo、Carole J.R. Bataille、Simon Byrne、Matthew Durbin、Jon Elkins、Abigail Guillermo、Alan M. Jones、Stefan Knapp、Anna Nadali、Roderick G. Walker、Isabel V.L. Wilkinson、Graham M. Wynne、Stephen G. Davies、Angela J. Russell

  DOI：10.1016/j.bmc.2020.115724

  日期：2020.11

  We have previously reported the discovery of a series of rhodanine-based inhibitors of the PIM family of serine/threonine kinases. Here we described the optimisation of those compounds to improve their physicochemical and ADME properties as well as reducing their off-targets activities against other kinases. Through molecular modeling and systematic structure activity relationship (SAR) studies, advanced molecules with high inhibitory potency, reduced off-target activity and minimal efflux were identified as new pan-PIM inhibitors. One example of an early lead, OX01401, was found to inhibit PIMs with nanomolar potency (15 nM for PIM1), inhibit proliferation of two PIM-expressing leukaemic cancer cell lines, MV4-11 and K562, and to reduce intracellular phosphorylation of a PIM substrate in a concentration dependent manner.
• PIPERIDINES AS MENIN INHIBITORS
  申请人：The Regents of The University of Michigan

  公开号：EP3452461B1

  公开（公告）日：2021-09-08