tert-butyl N-[1-(hydrazinecarbonyl)ethyl]carbamate | 1219838-62-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: tert-butyl N-[1-(hydrazinecarbonyl)ethyl]carbamate
• 英文别名: tert-butyl N-(1-hydrazinyl-1-oxopropan-2-yl)carbamate
• CAS: 1219838-62-6
• 化学式: C₈H₁₇N₃O₃
• mdl: MFCD00480976
• 分子量: 203.241
• InChiKey: FRNDCHOMCRLCJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  93.4
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl N-[1-(hydrazinecarbonyl)ethyl]carbamate 、 在 过氧化脲素 、 potassium carbonate 、 potassium iodide 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 反应 2.0h， 以43%的产率得到
  参考文献：
  名称：

  在半水条件下由酰肼聚合合成 1,3,4-恶二唑†

  摘要：

  1,3,4-恶二唑是一种芳香杂环，因其低亲脂性而在药物开发中具有重要价值。2-和/或5-位的取代基可以调节杂环的电子和氢键接受能力，同时利用其作为羰基生物等排体的用途。描述了一种制备 1,3,4-恶二唑的新方法，其中 α-溴硝基烷烃与酰肼偶联以直接提供 2,5-二取代恶二唑，避免了 1,2-二酰肼中间体。通过利用手性 α-溴硝基烷或氨基酸酰肼底物，可以改善恶二唑取代仲胺新结构单元的获得。与依赖高亲氧性试剂来实现不对称 1,2-二酰肼环化的替代方案相比，恶二唑合成的非脱水条件尤其值得注意。通过标准水洗直接去除副产物，打破了温和的条件。

  DOI：

  10.1039/c7sc00195a

文献信息

• TRIAZOLE DERIVATIVE
  申请人：Ono Naoya

  公开号：US20100041655A1

  公开（公告）日：2010-02-18

  An object of the present invention is to provide a compound having an action of inhibiting binding between S1P and its receptor, Edg-1 (S1P 1 ), and is useful as a pharmaceutical compound. A compound or a pharmaceutically acceptable salt thereof, which compound is represented by the formula below (where A represents an oxygen atom, a sulfur atom, a group represented by Formula —SO—, a group represented by Formula —SO 2 — or the like, R 1 represents a hydrogen atom, an alkyl group having 1-6 carbon atoms, or the like, R 1A represents a hydrogen atom or the like, R 2 represents an alkyl group having 1-6 carbon atoms, a cycloalkyl group having 3-6 carbon atoms, or the like, represents an aryl group, R 4 represents a hydrogen atom or an alkyl group having 1-6 carbon atoms and optionally substituted with a carboxyl group, and R 5 represents an alkyl group having 1-carbon atoms, a cycloalkyl group having 3-8 carbon atoms, an aryl group which is optionally substituted, or the like).

  本发明的目的是提供一种化合物，具有抑制S1P与其受体Edg-1（S1P1）结合的作用，并且可用作制药化合物。该化合物或其药学上可接受的盐，所述化合物由以下公式表示（其中A表示氧原子、硫原子、由公式—SO—表示的基团、由公式—SO2—表示的基团或类似基团，R1表示氢原子、具有1-6个碳原子的烷基或类似基团，R1A表示氢原子或类似基团，R2表示具有1-6个碳原子的烷基、具有3-6个碳原子的环烷基或类似基团，表示芳基基团，R4表示氢原子或具有1-6个碳原子且可选择性地取代羧基的烷基基团，而R5表示具有1个碳原子的烷基基团、具有3-8个碳原子的环烷基、可选择性地取代的芳基基团或类似基团）。
• CHEMICAL COMPOUNDS
  申请人：Cowen Scott

  公开号：US20100197749A1

  公开（公告）日：2010-08-05

  The invention relates to chemical compounds of formula (I) and (II): or pharmaceutically acceptable salts thereof, which possess Edg-1 antagonistic 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.

  本发明涉及公式(I)和(II)的化合物，或其药学上可接受的盐，具有Edg-1拮抗活性，因此在抗癌活性方面有用，并且在人体或动物体的治疗方法中使用。本发明还涉及制造上述化合物的过程，包含它们的制药组合物以及它们在制造用于在诸如人类之类的恒温动物中产生抗癌效应的药物中的用途。
• Triazole derivative
  申请人：Ono Naoya

  公开号：US20090131438A1

  公开（公告）日：2009-05-21

  A compound represented by the formula (I) below or a pharmaceutically acceptable salt thereof has an effect of inhibiting binding between S1P and its receptor Edg-1(S1P 1 ), and is useful as a pharmaceutical product. [where A represents a sulfur atom, an oxygen atom, a formula —SO— or a formula —SO 2 —; R 1 represents a hydrogen atom, an alkyl group having 1 to 6 carbon atoms or the like; R 2 represents an alkyl group having 1 to 6 carbon atoms, a cycloalkyl group having 3 to 8 carbon atoms or the like; R 3 represents a hydrogen atom or an alkyl group having 1 to 6 carbon atoms; R 4 represents a hydrogen atom, an alkyl group having 1 to 6 carbon atoms, a phenyl group or the like; R 5 represents a hydrogen atom or an alkyl group having 1 to 6 carbon atoms; and R 6 represents an alkyl group having 1 to 6 carbon atoms, a phenyl group or a substituted phenyl group].

  化合物(I)的化学式如下，或其药物可接受的盐，具有抑制S1P与其受体Edg-1(S1P1)结合的效果，可用作制药产品。[其中A代表硫原子、氧原子、式—SO—或式—SO2—；R1代表氢原子、具有1至6个碳原子的烷基或类似物；R2代表具有1至6个碳原子的烷基、具有3至8个碳原子的环烷基或类似物；R3代表氢原子或具有1至6个碳原子的烷基；R4代表氢原子、具有1至6个碳原子的烷基、苯基或类似物；R5代表氢原子或具有1至6个碳原子的烷基；R6代表具有1至6个碳原子的烷基、苯基或取代苯基。]
• P2X3 and/or P2X2/3 compounds and methods
  申请人：Asana Biosciences, LLC

  公开号：US10316039B2

  公开（公告）日：2019-06-11

  The present application provides novel compounds and methods for preparing and using these compounds. In one embodiment, the compounds are of the structure of formula (I), wherein R1-R4 are defined herein. In a further embodiment, these compounds are useful in method for regulating one or both of the P2X3 or P2X2/3 receptors. In another embodiment, these compounds are useful for treating pain in patients by administering one or more of the compounds to a patient.

  本申请提供了新型化合物以及制备和使用这些化合物的方法。在一个实施方案中，这些化合物具有式（I）的结构，其中 R1-R4 在此定义。在另一个实施方案中，这些化合物可用于调节 P2X3 或 P2X2/3 受体中的一种或两种。在另一个实施方案中，通过给患者施用一种或多种化合物，这些化合物可用于治疗患者的疼痛。
• Synthesis and Comparison of Antioxidant Properties of Indole-Based Melatonin Analogue Indole Amino Acid Derivatives
  作者：Sibel Suzen、Seyhan Sezen Cihaner、Tulay Coban

  DOI：10.1111/j.1747-0285.2011.01216.x

  日期：2012.1

  Increased levels of reactive oxygen species attributed to oxidative stress have been found to be responsible for the development of some vital diseases such as cardiovascular, neurodegenerative and autoimmune diseases. Recently, it was observed that melatonin is a highly important antioxidant, and melatonin analogues are under investigation to find out improved antioxidant activity. In this study, 14 melatonin ‐based analogue indole amino acid and N‐protected amino acid derivatives were synthesized and elucidated spectrometrically. To investigate the antioxidant activity of the synthesized compounds and to compare with melatonin, butylhydroxytoluene and vitamin E, lipid peroxidation inhibition and 2,2‐diphenyl‐1‐picrylhydrazyl radical‐scavenging activities were tested. The results indicated that the synthesized new indole amino acid derivatives have similar activities to melatonin in 2,2‐diphenyl‐1‐picrylhydrazyl radical‐scavenging activity assay but more potent activities in lipid peroxidation inhibition assay.