N-[(4-甲氧基苯基)甲基]丙酰胺 | 91247-21-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: N-[(4-甲氧基苯基)甲基]丙酰胺
• 英文名称: N-(4-methoxybenzyl)propionamide
• 英文别名: N-[(4-methoxyphenyl)methyl]propanamide
• CAS: 91247-21-1
• 化学式: C₁₁H₁₅NO₂
• mdl: MFCD02666619
• 分子量: 193.246
• InChiKey: QYMOBEAEFYKMNJ-UHFFFAOYSA-N

物化性质

• 熔点：
  88-90 °C
• 沸点：
  384.3±25.0 °C(Predicted)
• 密度：
  1.043±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-甲氧基苯甲醛 在 六甲基磷酰三胺 、 sodium tetrahydroborate 、 samarium diiodide 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 反应 5.0h， 生成 N-[(4-甲氧基苯基)甲基]丙酰胺
  参考文献：
  名称：

  Mild Construction of 3-Methyl Tetramic Acids Enabling a Formal Synthesis of Palau’imide

  摘要：

  A general method to construct 3-methyl-4-O-methylated tetramic acids displaying a C-5 stereocenter is presented. The synthetic sequence employs a Sml(2)-mediated cyclization, whereby the chirality of the emerging tetramic acid core is retained from the starting chiral amino acid. Application to palau'imide is discussed.

  DOI：

  10.1021/ol301556a

文献信息

• Kinetics and mechanism of the aminolysis of thiophenyl methylacetates in acetonitrile
  作者：Hyuck Keun Oh、Jin Hee Yang、In Ho Cho、Hai Whang Lee、Ikchoon Lee

  DOI：10.1002/1097-4601(2000)32:8<485::aid-kin6>3.0.co;2-x

  日期：——

  and cross-interaction constant ρXZ is relatively large and positive (0.90). These trends are consistent with the rate-limiting breakdown of a tetrahedral intermediate, T ± . The proposed mechanism is also supported by adherence of the rate data to the reactivity-selectivity principle (RSP). The kinetic isotope effects, kH/kD, are greater than unity (1.3-1.4) suggesting a possibility of hydrogen-bonded

  交叉相互作用常数 ρXZ 较大且为正（0.90）。这些趋势与四面体中间体 T ± 的限速分解一致。速率数据遵守反应选择性原则 (RSP) 也支持所提出的机制。动力学同位素效应 kH/kD 大于单位 (1.3-1.4)，表明可能存在氢键四中心过渡态。激活参数 ΔH ≠ 和 ΔS ≠ 与这种过渡态结构一致。
• [EN] DIRECTED CONJUGATION TECHNOLOGIES<br/>[FR] TECHNOLOGIES DE CONJUGAISON DIRIGÉE
  申请人：KLEO PHARMACEUTICALS INC

  公开号：WO2021102052A1

  公开（公告）日：2021-05-27

  Among other things, the present disclosure provides technologies for site-directed conjugation of various moieties of interest to target agents. In some embodiments, the present disclosure utilizes target binding moieties to provide high conjugation efficiency and selectivity. In some embodiments, provided technologies are useful for preparing antibody conjugates.

  本公开提供了用于将各种感兴趣的分子与目标剂进行定点偶联的技术。在某些实施方式中，本公开利用目标结合分子以提供高偶联效率和选择性。在某些实施方式中，所提供的技术可用于制备抗体偶联物。
• [EN] BIARYL AMIDE OR UREA DERIVATIVES AS TRPV1 LIGANDS<br/>[FR] DÉRIVÉS DE BIARYL AMIDE OU D'URÉE EN TANT QUE LIGANDS DE TRPV1
  申请人：UNIV SIENA

  公开号：WO2015162216A1

  公开（公告）日：2015-10-29

  The present invention relates to high affinity compounds, able to bind the transient receptor potential cation channel, subfamily Vanilloid, type 1 or TRPV1. Being this receptor involved in pain processing and neurogenic inflammatory responses and being up-regulated during chronic pain conditions, the compounds of the invention find particular application in all medical conditions involving said receptors, in particular as agents for pain therapy and/or anti-inflammatory and/or cluster headache therapy and/or anti-oxidant and/or anti-cancer therapy. Moreover, the chemical structure of these compounds provides the opportunity of developing new radiotracers for Positron Emission Tomography (PET) imaging. These radiotracers are of great relevance for mapping TRPV1 receptors in (patho)physiological conditions.

  本发明涉及高亲和力化合物，能够结合瞬时受体电位阳离子通道，亚家族Vanilloid，类型1或TRPV1。由于这种受体参与疼痛处理和神经源性炎症反应，并且在慢性疼痛情况下上调，本发明的化合物在涉及该受体的所有医学状况中找到特定应用，特别是作为疼痛治疗和/或抗炎疗法和/或群集性头痛治疗和/或抗氧化剂和/或抗癌疗法的药物。此外，这些化合物的化学结构为开发新的正电子发射断层扫描（PET）成像的放射示踪剂提供了机会。这些放射示踪剂对于在（病理）生理条件下映射TRPV1受体具有重要意义。
• Substituted hydroxamic acids and uses thereof
  申请人：Blackburn Christopher

  公开号：US20110046157A1

  公开（公告）日：2011-02-24

  This invention provides compounds of formula (I): wherein R 1 , R 2 , G, n, p and q have values as described in the specification, useful as inhibitors of HDAC6. The invention also provides pharmaceutical compositions comprising the compounds of the invention and methods of using the compositions in the treatment of proliferative, inflammatory, infectious, neurological or cardiovascular diseases or disorders.

  本发明提供了式(I)的化合物： 其中R1、R2、G、n、p和q的值如说明书所述，可用作HDAC6的抑制剂。该发明还提供了包括该发明中的化合物的制药组合物以及使用该组合物治疗增生性、炎症性、感染性、神经系统或心血管疾病或紊乱的方法。
• Fused Imidazo [3,2 - D] Pyrazines as P13 Kinase Inhibitors
  申请人：Pastor Fernández Joaquin

  公开号：US20130029967A1

  公开（公告）日：2013-01-31

  There is provided compounds of formula (I), wherein A 1 , A 2 , A 3 , A 4 , n, the dotted lines, B 1 , B 1a , B 2 , B 2a , B 3 , B 3a , B 4 , B 4a , R 2 and R 3 have meanings given in the description, and pharmaceutically-acceptable esters, amides, solvates or salts thereof, which compounds are useful in the treatment of diseases in which inhibition of a protein kinase (e.g. a PI3-K and/or mTOR) is desired and/or required, and particularly in the treatment of cancer or a proliferative disease.

  提供了式（I）的化合物，其中A1，A2，A3，A4，n，点线，B1，B1a，B2，B2a，B3，B3a，B4，B4a，R2和R3的含义在说明中给出，并且其药学上可接受的酯，酰胺，溶剂合物或盐，这些化合物在治疗需要抑制蛋白激酶（例如PI3-K和/或mTOR）的疾病中非常有用，特别是在治疗癌症或增生性疾病方面。