2-oxo-2-(piperazin-1-yl)ethyl acetate | 929632-40-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2-oxo-2-(piperazin-1-yl)ethyl acetate
• 英文别名: 2-(Acetyloxy)-1-(1-piperazinyl)ethanone；(2-oxo-2-piperazin-1-ylethyl) acetate
• CAS: 929632-40-6
• 化学式: C₈H₁₄N₂O₃
• 分子量: 186.211
• InChiKey: VQGZGZWQLKGHEZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-oxo-2-(piperazin-1-yl)ethyl acetate 在 水 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 、 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.33h， 生成 1-(2-(difluoromethyl)-4-(2,3-dimethylphenyl)piperazin-1-yl)-2-((3bR,4aR)-3-(4-(2-hydroxyacetyl)piperazine-1-carbonyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)ethanone
  参考文献：
  名称：

  [EN] NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2, 3-DIOXYGENASE (IDO) INHIBITORS
  [FR] NOUVEAUX COMPOSÉS DE PIPERAZINE AMIDE SUBSTITUÉS UTILISÉS EN TANT QU'INHIBITEURS DE L'INDOLÉAMINE 2,3-DIOXYGÉNASE (IDO)

  摘要：

  本文披露了一种化合物，其化学式为（I），可以作为IDO酶的抑制剂：（I）。本文还披露了这些化合物在潜在的治疗或预防IDO相关疾病或紊乱中的用途。本文还披露了包含这些化合物的组合物。此外，本文还披露了这些组合物在潜在的治疗或预防IDO相关疾病或紊乱中的用途。

  公开号：

  WO2020112581A1
• 作为产物：
  描述：

  tert-butyl 4-(2-acetoxyacetyl)piperazine-1-carboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 2-oxo-2-(piperazin-1-yl)ethyl acetate
  参考文献：
  名称：

  Indolobenzazepine HCV NS5B inhibitors

  摘要：

  这项发明涵盖了Formula I、II、III和IV的化合物和盐，以及使用这些化合物的组合物和方法。这些化合物对丙型肝炎病毒（HCV）具有活性，并可用于治疗感染HCV的患者。

  公开号：

  US20070078122A1

文献信息

• [EN] NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS<br/>[FR] NOUVEAUX COMPOSÉS ARYLOXYPIPÉRIDINE PYRAZOLE UTILES EN TANT QU'INHIBITEURS DE L'INDOLÉAMINE 2,3-DIOXYGÉNASE
  申请人：MERCK SHARP & DOHME

  公开号：WO2020041100A1

  公开（公告）日：2020-02-27

  Disclosed herein are compounds of formula (I) which are inhibitors of an IDO enzyme: Also disclosed herein are uses of the compounds in the potential treatment or prevention of an IDO-associated disease or disorder. Also disclosed herein are compositions comprising these compounds. Further disclosed herein are uses of the compositions in the potential treatment or prevention of an IDO-associated disease or disorder.

  本文介绍了一种公式（I）的化合物，这些化合物是IDO酶的抑制剂：本文还披露了这些化合物在潜在治疗或预防IDO相关疾病或紊乱中的用途。本文还披露了包含这些化合物的组合物。本文还披露了这些组合物在潜在治疗或预防IDO相关疾病或紊乱中的用途。
• [EN] NOVEL SUBSTITUTED PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS<br/>[FR] NOUVEAUX COMPOSÉS PYRAZOLE SUBSTITUÉS UTILISÉS EN TANT QU'INHIBITEURS DE L'INDOLÉAMINE 2,3-DIOXYGÉNASE
  申请人：MERCK SHARP & DOHME

  公开号：WO2020092183A1

  公开（公告）日：2020-05-07

  Disclosed herein are compounds of formula (I) which are inhibitors of an IDO enzyme: (I). Also disclosed herein are uses of the compounds in the potential treatment or prevention of an IDO-associated disease or disorder. Also disclosed herein are compositions comprising these compounds. Further disclosed herein are uses of the compositions in the potential treatment or prevention of an IDO-associated disease or disorder.

  本文披露了化合物的结构式 (I)，这些化合物是 IDO 酶的抑制剂：(I)。本文还披露了这些化合物在潜在治疗或预防与 IDO 相关疾病或紊乱中的用途。本文还披露了包含这些化合物的组合物。此外，本文还披露了这些组合物在潜在治疗或预防与 IDO 相关疾病或紊乱中的用途。
• 4-ANILINOQUINOLINE-3-CARBOXAMIDES AS CSF-1R KINASE INHIBITORS
  申请人：Cook Donald

  公开号：US20090054411A1

  公开（公告）日：2009-02-26

  The invention relates to chemical compounds of formula IA or IB: or pharmaceutically acceptable salts thereof which possess CSF-1R kinase inhibitory activity and are accordingly useful for their anti-cancer activity and thus in methods of treatment of the human or animal body. The invention also relates to processes for the manufacture of said chemical compounds, to pharmaceutical compositions containing them and to their use in the manufacture of medicaments of use in the production of an anti-cancer effect in a warm-blooded animal such as man.

  该发明涉及化学式IA或IB的化合物：或其药学上可接受的盐，其具有CSF-1R激酶抑制活性，因此在抗癌活性和人或动物体的治疗方法中有用。该发明还涉及制造所述化学化合物的过程，包含它们的制药组合物以及它们在制造用于在温血动物（如人类）中产生抗癌效果的药物中的使用。
• (<i>R</i>)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors
  作者：Ha-Soon Choi、Paul V. Rucker、Zhicheng Wang、Yi Fan、Pamela Albaugh、Greg Chopiuk、Francois Gessier、Fangxian Sun、Francisco Adrian、Guoxun Liu、Tami Hood、Nanxin Li、Yong Jia、Jianwei Che、Susan McCormack、Allen Li、Jie Li、Auzon Steffy、AnneMarie Culazzo、Celine Tompkins、Van Phung、Andreas Kreusch、Min Lu、Bin Hu、Apurva Chaudhary、Mahavir Prashad、Tove Tuntland、Bo Liu、Jennifer Harris、H. Martin Seidel、Jon Loren、Valentina Molteni

  DOI：10.1021/acsmedchemlett.5b00050

  日期：2015.5.14

  Deregulated kinase activities of tropomyosin receptor kinase (TRK) family members have been shown to be associated with tumorigenesis and poor prognosis in a variety of cancer types. In particular, several chromosomal rearrangements involving TRKA have been reported in colorectal, papillary thyroid, glioblastoma, melanoma, and lung tissue that are believed to be the key oncogenic driver in these tumors. By screening the Novartis compound collection, a novel imidazopyridazine TRK inhibitor was identified that served as a launching point for drug optimization. Structure guided drug design led to the identification of (R)-2-phenylpyrrolidine substituted imidazopyridazines as a series of potent, selective, orally bioavailable pan-TRK inhibitors achieving tumor regression in rats bearing KM12 xenografts. From this work the (R)-2-phenylpyrrolidine has emerged as an ideal moiety to incorporate in bicyclic TRK inhibitors by virtue of its shape complementarity to the hydrophobic pocket of TRKs.
• 2-Phenyl-substituierte Imidazotriazinone als Phoshodiesterase Inhibitoren
  申请人：Bayer Pharma Aktiengesellschaft

  公开号：EP1174431B1

  公开（公告）日：2012-05-30