tert-butyl (3-(4-nitrophenyl)propyl)carbamate | 119744-44-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: tert-butyl (3-(4-nitrophenyl)propyl)carbamate
• 英文别名: tert-Butyl [3-(4-nitrophenyl)propyl]carbamate；tert-butyl N-[3-(4-nitrophenyl)propyl]carbamate
• CAS: 119744-44-4
• 化学式: C₁₄H₂₀N₂O₄
• 分子量: 280.324
• InChiKey: ATDRUVSTLDRWRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  84.2
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl (3-(4-nitrophenyl)propyl)carbamate 在 N-甲基吗啉 、 盐酸 、 碳酸氢钠 、 1-羟基苯并三唑 、 溶剂黄146 、 三乙胺 、 N,N'-二环己基碳二亚胺 、 三氟乙酸 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 103.75h， 生成 [(S)-1-{(R)-1-[({Ethyl-[3-(4-nitro-phenyl)-propyl]-carbamoyl}-methyl)-carbamoyl]-4-guanidino-butylcarbamoyl}-2-(4-hydroxy-phenyl)-ethyl]-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Peripherally acting enkephalin analogs. 2. Polar tri- and tetrapeptides

  摘要：

  The design, synthesis, and biological activity of a series of D-Arg2-enkephalin-derived tetrapeptide amides and tripeptide aralkylamides are reported. These polar analogues were designed to be excluded from the central nervous system with their action thus limited to peripheral opioid receptors. The effects of the nature of the aromatic ring, aryl ring substitution, and aralkylamine chain length on activity were investigated; in a number of cases the N-terminal amino group of Tyr1 was converted to a guanidino group to further increase hydrophilicity. The peptides were all synthesized by classical solution methodology. The opioid activity of the peptides was assessed in vitro on the guinea pig ileum and their antinociceptive activity was determined in vivo in chemically induced writhing models (peripheral activity) and in the hot-plate test (central activity), in rodents. That the analgesic effects were predominantly mediated in the periphery was demonstrated by antagonism of antinociception by the peripheral opioid antagonist N-methylnalorphine and by comparison of the activities in the writhing and hot-plate tests. As a class, the tetrapeptides were more potent than the tripeptides; N alpha-amidination generally increased activity. A number of compounds exhibited very potent opioid activity and had the desired pharmacological profile, indicating a high degree of peripheral selectivity.

  DOI：

  10.1021/jm00125a028
• 作为产物：
  描述：

  3-苯基-1-丙胺 在 硝酸 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 28.0h， 生成 tert-butyl (3-(4-nitrophenyl)propyl)carbamate
  参考文献：
  名称：

  [EN] MACROCYCLES AS KINASE INHIBITORS
  [FR] MACROCYCLES UTILISÉS EN TANT QU'INHIBITEURS DE KINASES

  摘要：

  式I中X、Y、Q1、M、Q2和B具有权利要求1中所指示的含义的化合物是GCN2的抑制剂，可用于治疗癌症。

  公开号：

  WO2014180524A1

文献信息

• CHLORO-PYRAZINE CARBOXAMIDE DERIVATIVES WITH EPITHELIAL SODIUM CHANNEL BLOCKING ACTIVITY
  申请人：Parion Sciences, Inc.

  公开号：US20140171447A1

  公开（公告）日：2014-06-19

  This invention provides compounds of the formula I: and their pharmaceutically acceptable salts, useful as sodium channel blockers, compositions containing the same, therapeutic methods and uses for the same and processes for preparing the same.

  这项发明提供了式I的化合物及其药用盐，可用作钠通道阻滞剂，包含这些化合物的组合物，以及用于这些化合物的治疗方法和用途，以及制备这些化合物的方法。
• [EN] SULFONAMIDE COMPOUNDS TARGETING CD73 AND ADENOSINE RECEPTORS<br/>[FR] COMPOSÉS DE SULFONAMIDE CIBLANT CD73 ET LES RÉCEPTEURS D'ADÉNOSINE
  申请人：AURIGENE DISCOVERY TECH LTD

  公开号：WO2021105916A1

  公开（公告）日：2021-06-03

  The present invention relates to bispecific compound of formula (I) as dual inhibitors of CD73 and adenosine receptors. The present invention also relates to pharmaceutical compositions comprising said compounds or a pharmaceutically acceptable salt or a stereoisomer or a prodrug thereof and use of such compounds in the treatment of diseases mediated by CD73 and/or adenosine receptors, particularly A2aR or A2bR.

  本发明涉及一种具有如下式(I)的双特异性化合物，作为CD73和腺苷受体的双重抑制剂。本发明还涉及包含所述化合物或其药用可接受盐或立体异构体或前药的药物组合物，以及在治疗由CD73和/或腺苷受体介导的疾病中使用这些化合物，特别是A2aR或A2bR。
• Synthesis and Evaluation of Novel Phenylethanolamine Derivatives containing Acetanilides as Potent and Selective .BETA.3-Adrenergic Receptor Agonists
  作者：Tatsuya Maruyama、Kenichi Onda、Masahiko Hayakawa、Takayuki Suzuki、Tetsuya Kimizuka、Tetsuo Matsui、Toshiyuki Takasu、Itsuro Nagase、Noritaka Hamada、Mitsuaki Ohta

  DOI：10.1248/cpb.58.533

  日期：——

  In the search for potent and selective human β3-adrenergic receptor (AR) agonists as potential pharmacotherapies for the treatment of obesity and non-insulin dependent (type II) diabetes, we prepared a novel series of phenylethanolamine derivatives containing acetanilides and evaluated their biological activities at the human β3-, β2-, and β1-ARs. Among these compounds, the 6-amino-2-pyridylacetanilide (36b), 2-amino-5-methylthiazol-4-ylacetanilide (36g), and 5-amino-1,2,4-thiadiazol-3-ylacetanilide (36h) derivatives showed potent agonistic activity at the β3-AR with functional selectivity over the β1- and β2-ARs. In addition, these compounds exhibited significant hypoglycemic activity in a rodent diabetic model.

  在寻找有效且选择性的人类β3-肾上腺素受体（AR）激动剂作为治疗肥胖和非胰岛素依赖型（2型）糖尿病的潜在药物治疗时，我们准备了一系列新颖的含有醋酸酰胺的苯乙醇胺衍生物，并评估了它们在人体β3-、β2-和β1-AR上的生物活性。在这些化合物中，6-氨基-2-吡啶基醋酸酰胺（36b）、2-氨基-5-甲基噻唑-4-基醋酸酰胺（36g）和5-氨基-1,2,4-噻二唑-3-基醋酸酰胺（36h）衍生物在β3-AR上显示出强烈的激动活性，并且对β1-和β2-AR具有功能选择性。此外，这些化合物在啮齿动物糖尿病模型中还表现出显著的降血糖活性。
• SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS
  申请人：Hoover Dennis J.

  公开号：US20080090834A1

  公开（公告）日：2008-04-17

  The invention pertains to heteroaromatic compounds of the formula I, as defined herein, that serve as effective phosphodiesterase (PDE) inhibitors. In particular, the invention relates to said compounds which are selective inhibitors of PDE10. The invention also relates to pharmaceutical compositions comprising said compounds; and the use of said compounds in a method for treating certain central nervous system (CNS) or other disorders.

  本发明涉及公式I所定义的杂环芳香化合物，其作为有效的磷酸二酯酶（PDE）抑制剂。特别地，本发明涉及选择性抑制PDE10的该类化合物。本发明还涉及包含该类化合物的药物组合物；以及使用该类化合物治疗某些中枢神经系统（CNS）或其他疾病的方法。
• MACROCYCLES AS KINASE INHIBITORS
  申请人：MERCK PATENT GMBH

  公开号：US20160166574A1

  公开（公告）日：2016-06-16

  Compounds of the formula I in which X, Y, Q 1 , M, Q 2 and B have the meanings indicated in Claim 1 , are inhibitors of GCN2, and can be employed, inter alia, for the treatment of cancer.

  公式I的化合物中，X、Y、Q1、M、Q2和B具有声明1中所示的含义，是GCN2的抑制剂，并可用于治疗癌症等疾病。