3-乙基苯甲酰氯化物 | 71527-31-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-乙基苯甲酰氯化物
• 英文名称: 3-ethylbenzoyl chloride
• CAS: 71527-31-6
• 化学式: C₉H₉ClO
• mdl: MFCD11111055
• 分子量: 168.623
• InChiKey: HWJRNRRLBHDICV-UHFFFAOYSA-N

物化性质

• 沸点：
  232.8±19.0 °C(Predicted)
• 密度：
  1.134±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2-(2-氯嘧啶-4-基)乙胺 、 3-乙基苯甲酰氯化物 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-(2-chloropyrimidin-4-yl)-N,3-diethylbenzamide
  参考文献：
  名称：

  Amide-based inhibitors of p38α MAP kinase. Part 2: Design, synthesis and SAR of potent N-pyrimidyl amides

  摘要：

  Optimization of a tri-substituted N-pyridyl amide led to the discovery of a new class of potent N-pyrimidyl amide based p38 alpha MAP kinase inhibitors. Initial SAR studies led to the identification of 5-dihydrofuran as an optimal hydrophobic group. Additional side chain modi. cations resulted in the introduction of hydrogen bond interactions. Through extensive SAR studies, analogs bearing free amino groups and alternatives to the parent (S)-alpha-methyl benzyl moiety were identified. These compounds exhibited improved cellular activities and maintained balance between p38a and CYP3A4 inhibition. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.090
• 作为产物：
  描述：

  1-溴-3-乙基苯 在 盐酸 、 氯化亚砜 、 magnesium 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 3-乙基苯甲酰氯化物
  参考文献：
  名称：

  EP1205478

  摘要：

  公开号：

文献信息

• Substituted 1,3-thiazole compounds, their production and use
  申请人：——

  公开号：US20040053973A1

  公开（公告）日：2004-03-18

  (1) A 1,3-thiazole compound of which the 5-position is substituted with a 4-pyridyl group having a substituent including no aromatic group or (2) a 1,3-thiazole compound of which the 5-position is substituted with a pyridyl group having at the position adjacent to a nitrogen atom of the pyridyl group a substituent including no aromatic group has an excellent p38 MAP kinase inhibitory activity.

  (1) 一种1,3-噻唑化合物，其5位被取代为含有一个取代基的4-吡啶基团，该取代基不包括芳香基，或者(2) 一种1,3-噻唑化合物，其5位被取代为一个吡啶基团，该吡啶基团的氮原子邻近位置有一个取代基，该取代基不包括芳香基，具有出色的p38 MAP激酶抑制活性。
• 2-(2,2-DIARYLETHYL)-CYCLIC AMINE DERIVATIVE OR SALT, SYNTHESIS THEREOF, AND APPLICATION AND COMPOSITION THEREOF
  申请人：DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES

  公开号：US20210155591A1

  公开（公告）日：2021-05-27

  The disclosure relates to a 2-(2,2-diarylethyl)-cyclic amine derivative or salt, a synthesis method, an application and a composition thereof. Biological activity test shows that this kind of 2-(2,2-diarylethyl)-cyclic amine derivative has good M-receptor antagonistic activity; and can be used as an active component of drugs for the treatment of the diseases mediated or regulated by muscarinic receptors, such as asthma, chronic obstructive pulmonary disease (COPD), overactive bladder (OAB), bronchospasm with chronic obstructive pulmonary disease, visceral spasm, irritable bowel syndrome, Parkinson's disease, depression or anxiety, schizophrenia and related mental diseases.

  本发明涉及一种2-(2,2-二芳基乙基)-环胺衍生物或盐，其合成方法、应用及组合物。生物活性测试显示，这类2-(2,2-二芳基乙基)-环胺衍生物具有优良的M受体拮抗活性；并且可以用作治疗由毒蕈碱受体介导或调节的疾病的药物中的活性成分，如哮喘、慢性阻塞性肺病（COPD）、过度活动膀胱（OAB）、慢性阻塞性肺病伴随的支气管痉挛、内脏痉挛、肠易激综合症、帕金森病、抑郁或焦虑、精神分裂症及相关精神疾病。
• MEDICINAL COMPOSITIONS
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1402900A1

  公开（公告）日：2004-03-31

  The present invention relates to an agent for the prophylaxis or treatment of pain, an agent for suppressing activation of osteoclast, and an inhibitor of osteoclast formation, which contains a p38 MAP kinase inhibitor and/or a TNF-α production inhibitor.

  本发明涉及一种用于预防或治疗疼痛的药剂，一种用于抑制破骨细胞活化的药剂，以及一种包含p38 MAP激酶抑制剂和/或TNF-α产生抑制剂的破骨细胞形成抑制剂。
• CONCOMITANT DRUGS
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1354603A1

  公开（公告）日：2003-10-22

  The present invention relates to a pharmaceutical agent containing one or more kinds of a p38 MAP kinase inhibitor and/or a TNF-α production inhibitor and one or more kinds of drugs selected from the group consisting of (1) a non-steroidal antiinflammatory drug, (2) a disease-modifying anti-rheumatic drug, (3) an anti-cytokine drug, (4) an immunomodulator, (5) a steroid and (6) a c-Jun N-terminal kinase inhibitor in combination. This combination agent is useful as a prophylactic or therapeutic agent of the diseases such as rheumatism, arthritis and the like, and other diseases.

  本发明涉及一种含有一种或多种p38 MAP激酶抑制剂和/或TNF-α产生抑制剂以及从（1）非甾体抗炎药、（2）疾病修饰性抗风湿药、（3）抗细胞因子药物、（4）免疫调节剂、（5）类固醇和（6）c-Jun N末端激酶抑制剂中选择的一种或多种药物的药物制剂。这种组合药剂可用作预防或治疗风湿病、关节炎等疾病以及其他疾病的药物。
• Fitness, parasitoids, and biological control: an opinion
  作者：B.D. Roitberg、G. Boivin、L.E.M. Vet

  DOI：10.4039/ent133429-3

  日期：2001.6

  Fitness, defined as theper capitarate of increase of a genotype with reference to the population carrying the associated genes, is a concept used by biologists to describe how well an individual performs in a population. Fitness is rarely measured directly and biologists resort to proxies more easily measured but with varying connection to fitness. Size, progeny survival, and developmental rate are the most common proxies used in the literature to describe parasitoid fitness. The importance of the proxies varies between papers looking at evolutionary theories and those assessing ecological applications. The most direct measures of fitness for parasitoids are realised fecundity for females and mating ability for males, although these proxies are more difficult to measure under natural conditions. For practical purposes, measure of size, through body size or mass, is the proxy easiest to use while providing good comparative values; however, care must be taken when using a single proxy, as proxies can be affected differently by rearing conditions of the parasitoid.

  摘要 适存度（Fitness）是生物学家用来描述个体在群体中表现如何的一个概念。生物学家很少直接测量个体适合度，而是采用更容易测量但与适合度关系各异的代用指标。体型、后代存活率和发育率是文献中描述寄生虫适应性最常用的代用指标。在研究进化理论和评估生态应用的论文中，代用指标的重要性各不相同。衡量寄生虫适应性最直接的方法是雌虫的实际繁殖力和雄虫的交配能力，不过这些代用指标在自然条件下较难衡量。在实际应用中，通过体型或质量来衡量大小是最容易使用的代用指标，同时还能提供良好的比较值；不过，在使用单一代用指标时必须小心谨慎，因为寄生虫的饲养条件会对代用指标产生不同的影响。