1-(2-methyl-1-oxopropyl)pyrrole | 66543-05-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 1-(2-methyl-1-oxopropyl)pyrrole
• 英文别名: Pyrrolidino-isobutyramid；2-Methyl-1-(1H-pyrrol-1-yl)propan-1-one；2-methyl-1-pyrrol-1-ylpropan-1-one
• CAS: 66543-05-3
• 化学式: C₈H₁₁NO
• 分子量: 137.181
• InChiKey: VQHUAEWEENWDFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  22
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-(2-methyl-1-oxopropyl)pyrrole 、 正己酸乙酯 在 lithium diisopropyl amide 作用下， 生成 ethyl 2-butyl-3-hydroxy-4-methyl-3-(1-pyrrolyl)pentanoate
  参考文献：
  名称：

  Brandaege, Svante; Rodriguez, Benito, Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1987, vol. 41, # 10, p. 740 - 744

  摘要：

  DOI：
• 作为产物：
  描述：

  吡咯 、 异丁酰氯 在 1.) K 作用下， 生成 1-(2-methyl-1-oxopropyl)pyrrole
  参考文献：
  名称：

  Brandaege, Svante; Rodriguez, Benito, Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1987, vol. 41, # 10, p. 740 - 744

  摘要：

  DOI：

文献信息

• HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS
  申请人：GiraFpharma LLC

  公开号：US20190023666A1

  公开（公告）日：2019-01-24

  Aminopyrazine compounds as modulators of an adenosine receptor are provided. The compounds may find use as therapeutic agents for the treatment of diseases mediated through a G-protein-coupled receptor signaling pathway and may find particular use in oncology.

  提供了氨基吡嗪化合物作为腺苷受体的调节剂。这些化合物可能作为治疗经由G蛋白偶联受体信号通路介导的疾病的治疗剂，并且可能在肿瘤学中发挥特定作用。
• Amine derivative compounds
  申请人：SANKYO COMPANY, LIMITED

  公开号：US20030078426A1

  公开（公告）日：2003-04-24

  An amine compound of the formula (I): 1 wherein R 1 represents an optionally substituted carbamoyl group, etc., R 2 represents a hydrogen atom, etc., R 3 represents a C 1 -C 10 alkyl group etc., W 1 , W 2 and W 3 are the same or different and each represent a single bond or a C 1 -C 8 alkylene group, X, Y and Q represent a sulfur atom, etc., Z represents a ═CH— group, etc., Ar represents a benzene ring, etc. and L represents a hydrogen atom, etc., or a pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc.

  化合物的结构式（I）如下：其中R1代表可选择取代的氨基甲酰基团，R2代表氢原子等，R3代表C1-C10烷基等，W1、W2和W3相同或不同，每个代表单键或C1-C8烷基链，X、Y和Q代表硫原子等，Z代表═CH—基团等，Ar代表苯环等，L代表氢原子等，或其药理学上可接受的盐。这些化合物在治疗和/或预防糖尿病、高脂血症、动脉硬化、癌症等疾病方面具有用处。
• Treatment of viral infections by modulation of host cell metabolic pathways
  申请人：Munger Josh

  公开号：US20090239830A1

  公开（公告）日：2009-09-24

  Alterations of certain metabolite concentrations and fluxes that occur in response to viral infection are described. Host cell enzymes in the involved metabolic pathways are selected as targets for intervention; i.e., to restore metabolic flux to disadvantage viral replication, or to further derange metabolic flux resulting in “suicide” of viral-infected cells (but not uninfected cells) in order to limit viral propagation. While any of the enzymes in the relevant metabolic pathway can be selected, pivotal enzymes at key control points in these metabolic pathways are preferred as candidate antiviral drug targets. Inhibitors of these enzymes are used to reverse, or redirect, the effects of the viral infection. Drug candidates are tested for antiviral activity using screening assays in vitro and host cells, as well as in animal models. Animal models are then used to test efficacy of candidate compounds in preventing and treating viral infections. The antiviral activity of enzyme inhibitors is demonstrated.

  描述了在病毒感染时发生的某些代谢物浓度和通量的改变。选择涉及代谢途径的宿主细胞酶作为干预靶点；即恢复代谢通量以不利于病毒复制，或进一步扰乱代谢通量导致病毒感染细胞的“自杀”（但不包括未感染的细胞），以限制病毒传播。虽然可以选择相关代谢途径中的任何酶，但是在这些代谢途径中关键控制点的关键酶更适合作为候选抗病毒药物靶点。使用这些酶的抑制剂来逆转或重定向病毒感染的影响。使用体外筛选分析和宿主细胞以及动物模型测试药物候选物的抗病毒活性。然后使用动物模型测试候选化合物在预防和治疗病毒感染方面的功效。证明了酶抑制剂的抗病毒活性。
• TREATMENT OF VIRAL INFECTIONS BY MODULATION OF HOST CELL METABOLIC PATHWAYS
  申请人：MUNGER Josh

  公开号：US20130065850A1

  公开（公告）日：2013-03-14

  Alterations of certain metabolite concentrations and fluxes that occur in response to viral infection are described. Host cell enzymes in the involved metabolic pathways are selected as targets for intervention; i.e., to restore metabolic flux to disadvantage viral replication, or to further derange metabolic flux resulting in “suicide” of viral-infected cells (but not uninfected cells) in order to limit viral propagation. While any of the enzymes in the relevant metabolic pathway can be selected, pivotal enzymes at key control points in these metabolic pathways are preferred as candidate antiviral drug targets. Inhibitors of these enzymes are used to reverse, or redirect, the effects of the viral infection. Drug candidates are tested for antiviral activity using screening assays in vitro and host cells, as well as in animal models. Animal models are then used to test efficacy of candidate compounds in preventing and treating viral infections. The antiviral activity of enzyme inhibitors is demonstrated.

  描述了某些代谢物浓度和通量的改变，这些改变是对病毒感染的反应。选择参与代谢途径的宿主细胞酶作为干预的目标，即恢复代谢通量以削弱病毒复制，或进一步扰乱代谢通量导致病毒感染细胞的“自杀”（但不包括未感染的细胞），以限制病毒传播。虽然可以选择相关代谢途径中的任何酶，但是在这些代谢途径的关键控制点上的关键酶被优先选择作为候选抗病毒药物靶点。使用这些酶的抑制剂来扭转或重定向病毒感染的影响。通过体外和宿主细胞的筛选试验以及动物模型来测试药物候选物的抗病毒活性。然后使用动物模型来测试候选化合物在预防和治疗病毒感染方面的功效。证明了酶抑制剂的抗病毒活性。
• Heterocyclic compounds as adenosine antagonists
  申请人：NUVATION BIO INC.

  公开号：US11028058B2

  公开（公告）日：2021-06-08

  Aminopyrazine compounds as modulators of an adenosine receptor are provided. The compounds may find use as therapeutic agents for the treatment of diseases mediated through a G-protein-coupled receptor signaling pathway and may find particular use in oncology.

  提供了作为腺苷受体调节剂的氨基吡嗪化合物。这些化合物可用作治疗剂，用于治疗通过 G 蛋白偶联受体信号通路介导的疾病，尤其可用于肿瘤学。