N-(benzo[d][1,3]dioxol-5-ylmethyl)propionamide | 65609-37-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: N-(benzo[d][1,3]dioxol-5-ylmethyl)propionamide
• 英文别名: N-[(2H-1,3-Benzodioxol-5-YL)methyl]propanamide；N-(1,3-benzodioxol-5-ylmethyl)propanamide
• CAS: 65609-37-2
• 化学式: C₁₁H₁₃NO₃
• mdl: MFCD03378697
• 分子量: 207.229
• InChiKey: TULFMIXQWNDACP-UHFFFAOYSA-N

物化性质

• 沸点：
  415.6±24.0 °C(Predicted)
• 密度：
  1.202±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  47.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3,4-亚甲二氧基苄胺 以3%的产率得到
  参考文献：
  名称：

  CAPDEVIELLE, PATRICE;LAVIGNE, ANDRE;MAUMY, MICHEL, TETRAHEDRON, 46,(1990) N, C. 2835-2844

  摘要：

  DOI：

文献信息

• Novel Capsaicin Analogues as Potential Anticancer Agents: Synthesis, Biological Evaluation, and<i>In Silico</i>Approach
  作者：Mariana C. F. C. B. Damião、Kerly F. M. Pasqualoto、Adilson K. Ferreira、Sarah F. Teixeira、Ricardo A. Azevedo、José A. M. Barbuto、Fanny Palace-Berl、Gilberto C. Franchi-Junior、Alexandre E. Nowill、Maurício T. Tavares、Roberto Parise-Filho

  DOI：10.1002/ardp.201400233

  日期：2014.12

  A novel class of benzo[d][1,3]dioxol‐5‐ylmethyl alkyl/aryl amide and ester analogues of capsaicin were designed, synthesized, and evaluated for their cytotoxic activity against human and murine cancer cell lines (B16F10, SK‐MEL‐28, NCI‐H1299, NCI‐H460, SK‐BR‐3, and MDA‐MB‐231) and human lung fibroblasts (MRC‐5). Three compounds (5f, 6c, and 6e) selectively inhibited the growth of aggressive cancer

  设计、合成了一类新的苯并[d][1,3]二氧戊环-5-基甲基烷基/芳基酰胺和辣椒素的酯类似物，并评估了它们对人和鼠癌细胞系（B16F10，SK- MEL-28、NCI-H1299、NCI-H460、SK-BR-3 和 MDA-MB-231) 和人肺成纤维细胞 (MRC-5)。三种化合物（5f、6c 和 6e）在微摩尔 (µM) 范围内选择性抑制侵袭性癌细胞的生长。此外，探索性数据分析指出拓扑和电子分子特性是负责对一组研究化合物进行区分的过程。研究结果表明，应用设计策略，除了提供更有效的类似物，
• Oxidative activation of dihydropyridine amides to reactive acyl donors
  作者：Erik Daa Funder、Julie B. Trads、Kurt V. Gothelf

  DOI：10.1039/c4ob01931h

  日期：——

  4-dihydropyridine (DHP) are activated by oxidation for acyl transfer to amines, alcohols and thiols. In the reduced form the DHP amide is stable towards reaction with amines at room temperature. However, upon oxidation with DDQ the acyl donor is activated via a proposed pyridinium intermediate. The activated intermediate reacts with various nucleophiles to give amides, esters, and thio-esters in moderate

  1,4-二氢吡啶（DHP）的酰胺通过氧化活化，将酰基转移为胺，醇和硫醇。在室温下，DHP酰胺以还原形式对与胺的反应稳定。但是，在用DDQ氧化后，酰基供体通过拟议的吡啶鎓中间体被活化。活化的中间体与各种亲核试剂反应，以中等至高收率得到酰胺，酯和硫代酯。
• Mechanism of the copper mediated oxidation of primary aliphatic amines by the cu0 / O2 / acetic acid system in acetonitrile
  作者：Patrice Capdevielle、André Lavigne、Michel Maumy

  DOI：10.1016/s0040-4020(01)88376-9

  日期：1990.1

  Primary aliphatic amines are oxidized to aldehydes by the Cu0/O2/ AcOH system in acetonitrile. Kinetic measurements, particularly deuterium isotope effects studies, give support to the existence of a Cu(III) strong oxidant intermediate species in contrast with the Cu(I) O2/pyridine oxidant system in which Cu(II) has the major role.

  脂肪族伯胺被乙腈中的Cu 0 / O 2 / AcOH系统氧化为醛。动力学测量，特别是氘同位素效应研究，与其中Cu（II）起主要作用的Cu（I）O 2 /吡啶氧化剂体系形成对比，支持了Cu（III）强氧化剂中间物种的存在。
• ALPHA HELIX MIMETICS AND METHODS RELATING THERETO
  申请人：Odagami Takenao

  公开号：US20120088770A1

  公开（公告）日：2012-04-12

  Alpha-helix mimetic structures and compounds represented by the formula (I) wherein the general formula and the definition of each symbol are as defined in the specification, a chemical library relating thereto, and methods relating thereto, are disclosed. Applications of these compounds in the treatment of medical conditions, e.g., cancer diseases, fibrotic diseases, and pharmaceutical compositions comprising the mimetics are further disclosed.

  本文披露了代表公式(I)的α-螺旋类似物结构和化合物，其中一般公式和每个符号的定义如规范所定义，以及与之相关的化学库和方法。此外，还披露了这些化合物在治疗医疗状况（例如癌症疾病、纤维化疾病）方面的应用，以及包括类似物的制药组合物。
• INHIBITORS OF BACTERIAL TYPE III SECRETION SYSTEM
  申请人：Microbiotix, Inc.

  公开号：EP2731608B1

  公开（公告）日：2018-03-14