1-(4-甲氧基2,5-二甲基苯基)乙烷-1-酮 | 104174-28-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(4-甲氧基2,5-二甲基苯基)乙烷-1-酮
• 英文名称: 4-Methoxy-2,5-dimethyl-acetophenon
• 英文别名: 1-(4-Methoxy-2,5-dimethylphenyl)ethanone
• CAS: 104174-28-9
• 化学式: C₁₁H₁₄O₂
• mdl: MFCD11553435
• 分子量: 178.231
• InChiKey: HYYOEBPABVJBNX-UHFFFAOYSA-N

物化性质

• 熔点：
  78-79 °C
• 沸点：
  293.9±35.0 °C(Predicted)
• 密度：
  1.004±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(4-甲氧基2,5-二甲基苯基)乙烷-1-酮 在 sodium tetrahydroborate 、 cerium(III) chloride heptahydrate 作用下， 以 甲醇 为溶剂， 以27%的产率得到1-(4-methoxy-2,5-dimethylphenyl)ethanol
  参考文献：
  名称：

  苯乙醇衍生物作为1-叠氮基金刚烷的三重态敏化剂

  摘要：

  激光闪光光解，磷光和密度泛函计算用于表征苯乙醇衍生物1、2、3和4的三重激发态。在乙腈中，这些醇的三重激发态形成的速率常数约为10 7。  s –1并以10 5和10 6  s –1之间的速率常数衰减。这些三重激发态的能量在80至83kcal / mol之间。此外，3可用作烷基叠氮化物的三重态敏化剂，以形成三重态腈中间体。版权所有©2011 John Wiley＆Sons，Ltd.

  DOI：

  10.1002/poc.1922
• 作为产物：
  描述：

  2,5-二甲基苯酚 在 二硫化碳 、 三氯化铝 作用下， 生成 1-(4-甲氧基2,5-二甲基苯基)乙烷-1-酮
  参考文献：
  名称：

  A patient with type I CD36 deficiency whose myocardium accumulated123I-BMIPP after 4 years

  摘要：

  A 73-year-old man with aortic regurgitation was examined by I-123-alpha -methyl-p-iodophenylpentadecanoic acid (BMIPP) myocardial single photon emission computed tomography (SPECT) in 1995. Myocardial accumulation was not evident on either the early or the delayed image obtained 15 minutes and 3 hours, respectively, after injecting I-123-BMIPP. Flow cytometric analysis of CD36 expression in monocytes and platelets identified a type I CD36 deficiency. The patient was hospitalized for severe heart failure in 1999. Upon admission, the cardiothoracic ratio on chest Xrays was 73%, and the left ventricular end-diastolic diameter on echocardiograms was enlarged to 77 mm. On the second day, we performed I-123-BMIPP myocardial SPECT. Myocardial accumulation was evident in the delayed, but not in the early image. We repeated I-123-BMIPP myocardial SPECT on the 10th day after admission. Myocardial accumulation was evident on both early and delayed images. Tc-99m-tetrofosmin myocardial SPECT was immediately performed after I-123-BMIPP myocardial SPECT to distinguish myocardial from pooling images in the left ventricle, but, because the images from both 99mTc-tetrofosmin and I-123-BMIPP myocardial SPECT were idential, we considered that the 123I-BMIPP myocardial SPECT images reflected the actual myocardial condition.The CD36 molecule transports long-chain fatty acid (LCFA) on the myocardial membrane, but I-123-BMIPP scintigraphy does not show any myocardial accumulation in patients with type I CD36 deficiency, indicating that myocardial LCFA uptake occurs through CD36 on the human myocardial membrane. Even though our patient had type I CD36 deficiency, BMIPP was uptaken by the myocardium during heart failure, suggesting a variant pathway on the human myocardial membrane for LCFA uptake.

  DOI：

  10.1007/bf02987845

文献信息

• Design, synthesis and biological evaluation of novel aryldiketo acids with enhanced antibacterial activity against multidrug resistant bacterial strains
  作者：Ilija N. Cvijetić、Tatjana Ž. Verbić、Pedro Ernesto de Resende、Paul Stapleton、Simon Gibbons、Ivan O. Juranić、Branko J. Drakulić、Mire Zloh

  DOI：10.1016/j.ejmech.2017.10.045

  日期：2018.1

  evade known therapeutic agents used in treatment of infections. Aryldiketo acids (ADK) have shown antimicrobial activity against several resistant strains including Gram-positive Staphylococcus aureus bacteria. Our previous studies revealed that ADK analogues having bulky alkyl group in ortho position on a phenyl ring have up to ten times better activity than norfloxacin against the same strains. Rational

  由于细菌，真菌和病毒逃避用于治疗感染的已知治疗剂的能力，因此抗菌素耐药性（AMR）是全球范围内的主要健康问题。芳基二酮酸（ADK）对几种耐药菌株（包括革兰氏阳性金黄色葡萄球菌）表现出抗菌活性。我们先前的研究表明，在相同环上，苯环上邻位具有大体积烷基的ADK类似物的活性比诺氟沙星高出十倍。通过在芳香环上引入疏水性取代基对类似物进行合理的修饰，已使针对多药耐药革兰氏阳性菌株的抗菌活性提高了十倍以上。 为了阐明这种潜在的新型抗菌剂的潜在作用机理，根据文献数据和药效学相似性搜索，对有效的ADK类似物鉴定了几种细菌酶作为推定的靶标。在选择的七个细菌靶标中，最活跃的类似物与金黄色葡萄球菌之间观察到最强的有利结合相互作用脱氢角鲨烯合酶和DNA旋转酶。此外，对接结果与文献数据相结合表明，这些新型分子还可以靶向其他几种细菌酶，包括异戊二烯基转移酶和甲硫氨酸氨基肽酶。这些结果和我们具有统计意义的3D QSAR
• AROMATIC COMPOUND AND USE THEREOF
  申请人：SUMITOMO CHEMICAL COMPANY, LIMITED

  公开号：US20160311775A1

  公开（公告）日：2016-10-27

  An aromatic compound represented by formula (1): wherein R 1 and R 2 each independently represents a halogen atom, a C1-C4 alkyl group, or a C1-C4 haloalkyl group; m and n each independently represents an integer of 0 to 4; R 3 and R 4 each represents a hydrogen atom; Y represents formula: —OC(═X)ZR 5 or —SC(═X)ZR 5 ; R 5 represents a C1-C3 alkyl group optionally having one or more halogen atoms; Z represents a sulfur atom, NR 8 , or a direct bond; R 8 represents a C1-C3 alkyl group or a hydrogen atom; Q represents a pyrazolyl group optionally having a substituent; and W and X each independently represents an oxygen atom or a sulfur atom, has excellent control activity against pests.

  一种由化学式（1）表示的芳香化合物：其中R1和R2分别独立表示卤素原子、C1-C4烷基基团或C1-C4卤代烷基基团；m和n分别独立表示0至4的整数；R3和R4分别表示氢原子；Y表示化学式：—OC(═X)ZR5或—SC(═X)ZR5；R5表示一个C1-C3烷基基团，可选地具有一个或多个卤素原子；Z表示硫原子、NR8或直接键；R8表示一个C1-C3烷基基团或氢原子；Q表示一个吡唑基团，可选地具有一个取代基；W和X分别独立表示氧原子或硫原子，对害虫具有优异的控制活性。
• ALPHA-ARYLMETHOXYACRYLATE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME
  申请人：Kim Se-Won

  公开号：US20120149707A1

  公开（公告）日：2012-06-14

  The present invention relates to an alpha-arylmethoxyacrylate derivative, a preparation method thereof and a pharmaceutical composition comprising the same, and the alpha-arylmethoxyacrylate derivative is inhibitory of HIF, which plays an important role in the regulation of genes associated with energy metabolism, vasomotion, angiogenesis and apoptosis and in the response of cells under hypoxic conditions, so that it can be used for preventing or treating of diseases such as cancer, arthritis, psoriasis, diabetic retinopathy and macular degeneration.

  本发明涉及一种α-芳基甲氧基丙烯酸酯衍生物，其制备方法及包含其的药物组合物，该α-芳基甲氧基丙烯酸酯衍生物对HIF具有抑制作用，HIF在调控与能量代谢、血管运动、血管生成和细胞在缺氧条件下的反应相关的基因方面起着重要作用，因此可用于预防或治疗癌症、关节炎、银屑病、糖尿病视网膜病变和黄斑变性等疾病。
• SUBSTITUTED PHENYLMETHYL BICYCLOCARBOXYAMIDE COMPOUNDS
  申请人：Ando Koji

  公开号：US20100087480A1

  公开（公告）日：2010-04-08

  This invention provides a compound of the formula (I). These compounds are useful for the treatment of disease conditions caused by overactivation of the VR1 receptor such as pain, or the like in mammal. This invention also provides a pharmaceutical composition comprising the above compound.

  这项发明提供了一种化合物，其化学式为（I）。这些化合物对于治疗由VR1受体过度激活引起的疾病症状，如哺乳动物中的疼痛等，具有益处。该发明还提供了一种包含上述化合物的药物组合物。
• Alpha-arylmethoxyacrylate derivative, preparation method thereof, and pharmaceutical composition containing same
  申请人：Kim Se-Won

  公开号：US08772290B2

  公开（公告）日：2014-07-08

  The present invention relates to an alpha-arylmethoxyacrylate derivative, a preparation method thereof and a pharmaceutical composition comprising the same, and the alpha-arylmethoxyacrylate derivative is inhibitory of HIF, which plays an important role in the regulation of genes associated with energy metabolism, vasomotion, angiogenesis and apoptosis and in the response of cells under hypoxic conditions, so that it can be used for preventing or treating of diseases such as cancer, arthritis, psoriasis, diabetic retinopathy and macular degeneration.

  本发明涉及一种α-芳基甲氧基丙烯酸酯衍生物，其制备方法和包含其的药物组合物，该α-芳基甲氧基丙烯酸酯衍生物具有抑制HIF的作用，HIF在调节与能量代谢、血管运动、血管生成和细胞凋亡相关的基因以及在缺氧条件下细胞响应中起重要作用，因此可用于预防或治疗癌症、关节炎、银屑病、糖尿病视网膜病变和黄斑变性等疾病。