(S)-2-(1-aminoethyl)-3,5-dichloropyridine | 793695-17-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: (S)-2-(1-aminoethyl)-3,5-dichloropyridine
• 英文别名: (S)-1-(3,5-dichloropyridin-2-yl)ethanamine；(1S)-1-(3,5-Dichloro(2-pyridyl))ethylamine；(1S)-1-(3,5-dichloropyridin-2-yl)ethanamine
• CAS: 793695-17-7
• 化学式: C₇H₈Cl₂N₂
• 分子量: 191.06
• InChiKey: IEIMANXIFJWWFP-BYPYZUCNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  38.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  乙酸乙酯 、 (RS)-2-(1-aminoethyl)-3,5-dichloropyridine hydrochloride 在 Candida antarctica lipase B 、 三乙胺 作用下， 反应 6.0h， 生成 (S)-2-(1-aminoethyl)-3,5-dichloropyridine 、 (R)-2-(1-aminoethyl)-3,5-dichloropyridine 、 N-[(S)-1-(3,5-Dichloro-pyridin-2-yl)-ethyl]-acetamide 、 N-[(R)-1-(3,5-Dichloro-pyridin-2-yl)-ethyl]-acetamide
  参考文献：
  名称：

  Enzymatic resolution of (RS)-2-(1-aminoethyl)-3-chloro-5-(substituted)pyridines

  摘要：

  The enantioselectivity of the lipase-catalyzed acetylation of several (RS)-2-(1-aminoethyl)-3-chloro-5-(substituted)pyridines has been examined. An enantiomeric excess (substrate) of 94% at 55% conversion was obtained for acetylation of the (R)-isomer of (RS)-2-(1-aminoethyl)-3-chloro-5-bromopyridine by Candida antartica lipase B in ethyl acetate, whereas the (R)-isomer of (RS)-2-(1-aminoethyl)-3,5-dichloropyridine and (RS)-2-(1-aminoethyl)-3-chloro-5-(difluoromethoxy)pyridine were each acetylated with significantly lower enantioselectivity. Substitution of methyl propionate, methyl isobutyrate or methyl methoxyacetate for ethyl acetate resulted in decreased enantioselectivity. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2004.07.043

文献信息

• [EN] 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH<br/>[FR] 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES COMME INHIBITEURS D'IDH MUTANTE
  申请人：NOVARTIS AG

  公开号：WO2014141104A1

  公开（公告）日：2014-09-18

  The invention is directed to a formula (I), or a pharmamceutically acceptable salt thereof, wherein R1, R2a, R2b and R3-R7 are herein. The invention is also directed to compositions containing a compound of formula (I) and to the use of such compounds in the inhibition of mutant IDH proteins having a neomorphic activity. The invention is further directed to the use of a compound of formula (I) in the treatment of diseases or disorders associated with such mutant IDH proteins including, but not limited to, cell-proliferation disorders, such as cancer.

  这项发明涉及一种式(I)的配方，或其药用可接受的盐，其中R1、R2a、R2b和R3-R7在此处。该发明还涉及含有式(I)化合物的组合物，以及在抑制具有新型活性的突变IDH蛋白中使用这种化合物的用途。该发明还涉及在治疗与这种突变IDH蛋白相关的疾病或紊乱中使用式(I)化合物，包括但不限于细胞增殖紊乱，如癌症。
• 3-PYRIMIDIN-4-YL-OXAZOLIDIN-2-ONES AS INHIBITORS OF MUTANT IDH
  申请人：NOVARTIS AG

  公开号：US20150152093A1

  公开（公告）日：2015-06-04

  The invention is directed to a formula (I): or a pharmaceutically acceptable salt thereof, wherein R 1 , R 2a , R 2b and R 3 -R 7 are herein. The invention is also directed to compositions containing a compound of formula (I) and to the use of such compounds in the inhibition of mutant IDH proteins having a neomorphic activity. The invention is further directed to the use of a compound of formula (I) in the treatment of diseases or disorders associated with such mutant IDH proteins including, but not limited to, cell-proliferation disorders, such as cancer.

  该发明涉及一种公式(I)或其药学上可接受的盐，其中R1、R2a、R2b和R3-R7如下。该发明还涉及含有公式(I)化合物的组合物，并且涉及使用这些化合物来抑制具有新型活性的突变IDH蛋白质。该发明进一步涉及使用公式(I)化合物来治疗与这种突变IDH蛋白质相关的疾病或障碍，包括但不限于细胞增殖障碍，如癌症。
• US20140275083A1
  申请人：——

  公开号：US20140275083A1

  公开（公告）日：2014-09-18
• US9434719B2
  申请人：——

  公开号：US9434719B2

  公开（公告）日：2016-09-06
• US9688672B2
  申请人：——

  公开号：US9688672B2

  公开（公告）日：2017-06-27