(2R)-2-甲基-1-[(1S)-1-苯基乙基]哌啶-4-酮 | 89467-37-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: (2R)-2-甲基-1-[(1S)-1-苯基乙基]哌啶-4-酮
• 英文名称: (R)-2-methyl-1-((S)-1-phenylethyl)piperidin-4-one
• 英文别名: (2R)-2-methyl-1-[(1S)-1-phenylethyl]piperidin-4-one
• CAS: 89467-37-8
• 化学式: C₁₄H₁₉NO
• 分子量: 217.311
• InChiKey: XOGIRAQPVLKDBV-NEPJUHHUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (2R)-2-甲基-1-[(1S)-1-苯基乙基]哌啶-4-酮 在 LiAlH(t-butoxy)3 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 以98%的产率得到(-)-cis-1-(S-α-phenylethyl)-2-methyl-4-piperidol
  参考文献：
  名称：

  [EN] (PIPERIDINYLOXY)PHENYL, (PIPERIDINYLOXY)PYRIDINYL, (PIPERIDINYLSULFANYL)PHENYL AND (PIPERIDINYLSULFANYL)PYRIDINYL COMPOUNDS AS 5-HT1F AGONISTS
  [FR] COMPOSES (PIPERIDINYLOXY)PHENYLE, (PIPERIDINYLOXY)PYRIDINYLE, (PIPERIDINYLSULFANYL)PHENYLE ET (PIPERIDINYLSULFANYL)PYRIDINYLE UTILISES COMME AGONISTES DES RECEPTEURS 5-HT1F

  摘要：

  本发明涉及公式1的化合物及其药用可接受的酸盐。本发明的化合物可用于激活5-HTIF受体，抑制神经蛋白外渗，并用于治疗或预防哺乳动物，尤其是人类的偏头痛。

  公开号：

  WO2004094380A1
• 作为产物：
  描述：

  (2S)-2-甲基-1-[[(1S)-1-苯基乙基]哌啶-4-酮 在 富马酸 作用下， 以 丙酮 为溶剂， 反应 18.0h， 以66%的产率得到(2R)-2-甲基-1-[(1S)-1-苯基乙基]哌啶-4-酮
  参考文献：
  名称：

  [EN] (PIPERIDINYLOXY)PHENYL, (PIPERIDINYLOXY)PYRIDINYL, (PIPERIDINYLSULFANYL)PHENYL AND (PIPERIDINYLSULFANYL)PYRIDINYL COMPOUNDS AS 5-HT1F AGONISTS
  [FR] COMPOSES (PIPERIDINYLOXY)PHENYLE, (PIPERIDINYLOXY)PYRIDINYLE, (PIPERIDINYLSULFANYL)PHENYLE ET (PIPERIDINYLSULFANYL)PYRIDINYLE UTILISES COMME AGONISTES DES RECEPTEURS 5-HT1F

  摘要：

  本发明涉及公式1的化合物及其药用可接受的酸盐。本发明的化合物可用于激活5-HTIF受体，抑制神经蛋白外渗，并用于治疗或预防哺乳动物，尤其是人类的偏头痛。

  公开号：

  WO2004094380A1

文献信息

• OXOPIPERAZINE DERIVATIVES
  申请人：Inthera Bioscience AG

  公开号：US20190185449A1

  公开（公告）日：2019-06-20

  The present invention relates to novel compounds of formula (I) or formula (Ia) pharmaceutically-acceptable salts, hydrates, solvates, or stereoisomers thereof, and pharmaceutical compositions of these compounds which are useful for preventive and therapeutic use in human and veterinary medicine.

  本发明涉及化学式（I）或化学式（Ia）的新化合物及其药用盐、水合物、溶剂合物或立体异构体，以及这些化合物的药物组合物，可用于人类和兽医药物的预防和治疗。
• (Piperidinyloxy)phenyl, (piperidinyloxy)pyridinyl, (piperidinylsulfanyl)phenyl and (piperidinylsulfanyl)pyridinyl compounds as 5-ht1f agonists
  申请人：Blanco-Pillado Maria-Jesus

  公开号：US20060211734A1

  公开（公告）日：2006-09-21

  The present invention relates to compounds of formula 1: and pharmaceutically acceptable acid addition sails thereof. The compounds of the present invention are useful for activating 5-HT 1F receptors, inhibiting neuronal protein extravasation, and for the treatment or preverition of migraine in mammals, particularly humans.

  本发明涉及公式1的化合物及其药学上可接受的酸盐。本发明的化合物对于激活5-HT1F受体、抑制神经蛋白外渗以及治疗或预防哺乳动物，特别是人类的偏头痛具有用途。
• Oxopiperazine derivatives
  申请人：Inthera Bioscience AG

  公开号：US10710975B2

  公开（公告）日：2020-07-14

  The present invention relates to novel compounds of formula (I) or formula (Ia) pharmaceutically-acceptable salts, hydrates, solvates, or stereoisomers thereof, and pharmaceutical compositions of these compounds which are useful for preventive and therapeutic use in human and veterinary medicine.

  本发明涉及式 (I) 或式 (Ia) 的新型化合物 其药学上可接受的盐、水合物、溶液或立体异构体，以及这些化合物的药物组合物，可用于人类和兽医的预防和治疗。
• Synthesis of 4,5,6,7-tetrahydrothieno[3,2-c]pyridines and comparison with their isosteric 1,2,3,4-tetrahydroisoquinolines as inhibitors of phenylethanolamine N-methyltransferase
  作者：Gary L. Grunewald、Mitchell R. Seim、Seema R. Bhat、Marc E. Wilson、Kevin R. Criscione

  DOI：10.1016/j.bmc.2007.08.066

  日期：2008.1

  A series of substituted 4,5,6,7-tetrahydrothieno[3,2-c]pyridines (THTPs) was synthesized and evaluated for their human phenylethanolamine N-methyltransferase (hPNMT) inhibitory potency and affinity for the alpha(2)-adrenoceptor. The THTP nucleus was suggested as an isosteric replacement for the 1,2,3,4-tetrahydroisoquinoline (THIQ) ring system on the basis that 3-thienylmethylamine (18) was more potent as an inhibitor of hPNMT and more selective toward the alpha(2)-adrenoceptor than benzylamine (15). Although the isosterism was confirmed, with similar influence of functional groups and chirality in both systems on hPNMT inhibitory potency and selectivity, the THTP compounds proved, in general, to be less potent as inhibitors of hPNMT than their THIQ counterparts, with the drop in potency being primarily attributed to the electronic properties of the thiophene ring. A hypothesis for the reduced hPNMT inhibitory potency of these compounds has been formed on the basis of molecular modeling and docking studies using the X-ray crystal structures of hPNMT co-crystallized with THIQ-type inhibitors and S-adenosyl-L-homocysteine as a template. (c) 2007 Elsevier Ltd. All rights reserved.
• WO2019244047A5
  申请人：——

  公开号：WO2019244047A5

  公开（公告）日：2022-07-04