2,5-dimethoxy-3-methylbenzaldehyde | 5548-30-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,5-dimethoxy-3-methylbenzaldehyde
• CAS: 5548-30-1
• 化学式: C₁₀H₁₂O₃
• 分子量: 180.203
• InChiKey: IGXIZGJVDXJVCN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,5-dimethoxy-3-methylbenzaldehyde 在 palladium on activated charcoal PPA 、 氢气 、 sodium hydride 作用下， 以 四氢呋喃 、 乙醇 、 溶剂黄146 、 二甲基亚砜 为溶剂， 反应 21.83h， 生成 7,10-Dimethoxy-4,8-dimethyl-2,3,4a,5,6,10b-hexahydrobenzo[f]quinolin-1-one
  参考文献：
  名称：

  Salley, John J.; Glennon, Richard A., Journal of Heterocyclic Chemistry, 1982, vol. 19, p. 545 - 550

  摘要：

  DOI：
• 作为产物：
  描述：

  2,6-二甲基-2,5-环己二烯-1,4-二酮 在 sodium dithionite 、 氧气 、 cobalt(II) acetate 、 manganese(II) acetate 、 potassium carbonate 作用下， 以 水 、 溶剂黄146 、 乙酸乙酯 、 丙酮 为溶剂， 25.0~110.0 ℃ 、303.98 kPa 条件下， 反应 16.0h， 生成 2,5-dimethoxy-3-methylbenzaldehyde
  参考文献：
  名称：

  Mohan, H. Rama; Rao, A. S., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1997, vol. 36, # 11, p. 1044 - 1046

  摘要：

  DOI：

文献信息

• PDK4 INHIBITOR AND USE THEREOF
  申请人：THE KITASATO INSTITUE

  公开号：US20150344404A1

  公开（公告）日：2015-12-03

  The present invention to provide a novel pyruvate dehydrogenase kinase inhibitors. A pyruvate dehydrogenase kinase inhibitor comprising a compound represented by the general formula (I) as an active ingredient (wherein, ring A represents a 6-membered aromatic hydrocarbon ring optionally substituted with 2-4 substituents, R 1 and R 4 , which are the same or different, represent a hydrogen atom, a hydroxyl group, an optionally substituted C1-6 alkyl group, R 2 and R 3 , which are the same or different, represent a hydrogen atom, a carboxyl group, an optionally substituted C1-6 alkyl group, an optionally substituted C6-10 aryl group, or a group represented by —C (═R 9 )—R 10 ), a pharmaceutical composition for treatment or prophylaxis of diseases or disorders that pyruvate dehydrogenase kinase relates to its development or aggravation, and a cosmetic composition, and the like.

  本发明提供了一种新型丙酮酸脱氢酶激酶抑制剂。一种丙酮酸脱氢酶激酶抑制剂包括一种以通式(I)表示的化合物作为活性成分（其中，环A代表一个6-成员芳香碳氢环，可选择地取代有2-4个取代基，R1和R4，它们相同或不同，代表氢原子，羟基，可选择地取代的C1-6烷基基团，R2和R3，它们相同或不同，代表氢原子，羧基，可选择地取代的C1-6烷基基团，可选择地取代的C6-10芳基基团，或由—C(═R9)—R10表示的基团），一种用于治疗或预防与丙酮酸脱氢酶激酶有关的疾病或紊乱的药物组合物，以及一种化妆品组合物等。
• Bis(bioreductive) alkylating agents: synthesis and biological activity in a nude mouse human carcinoma model
  作者：Donald T. Witiak、Prabhakar L. Kamat、Debra L. Allison、Stephen M. Liebowitz、Ronald Glaser、Jane E. Holliday、Melvin L. Moeschberger、Joseph P. Schaller

  DOI：10.1021/jm00366a004

  日期：1983.12

  hybrid cell line (D98/HR1) previously shown to induce carcinomas in nude mice. Inactivity of both test compounds in vitro, the relative resistance of these cells to test drugs in vitro, and the selective antitumor properties of the bis(bromomethyl) analogue in vivo lead to the proposal that this compound undergoes bioreduction to an alkylating species in the hypoxic core of the tumor, thereby exerting

  描述了导致具有构象受限和可移动间隔区的双（生物还原）烷基化剂的化学研究。具有构象可移动的乙烯间隔基的两个靶，即2,2'-亚乙基双[6-（羟甲基）-对苯醌]二乙酸酯（3b）和2,2'-亚乙基双[6-（溴甲基）-对苯醌] [3c]，是使用已建立的上皮/伯基特淋巴瘤杂交细胞系（D98 / HR1）在体内和体外进行研究的，该系先前已显示出可在裸鼠中诱发癌症。两种测试化合物在体外均无活性，这些细胞在体外对测试药物的相对抗性，以及双（溴甲基）类似物在体内的选择性抗肿瘤特性，导致该化合物在低氧环境中经历了生物还原成烷基化反应的提议。肿瘤的核心
• AMINOTETRALINE ACTIVATORS OF SEROTONIN RECEPTORS
  申请人：ATAI Life Sciences AG

  公开号：US20230202965A1

  公开（公告）日：2023-06-29

  Provided herein are compounds of Formula (I), (I-A), (I-B), (II), (II-A), (II-B), (III), (III-A), (IV), and (IV-A), or pharmaceutically acceptable salt thereof described herein. Also provided herein are pharmaceutical compositions comprising a compound Formula (I), (I-A), (I-B), (II), (II-A), (II-B), (III), (III-A), (IV), and (IV-A), or pharmaceutically acceptable salt thereof, and methods of using a compound of Formula (I), (I-A), (I-B), (II), (II-A), (II-B), (III), (III-A), (IV), and (IV-A), or pharmaceutically acceptable salt thereof, e.g., in the treatment of a mental health disease or disorder.

  本文提供了公式(I)、(I-A)、(I-B)、(II)、(II-A)、(II-B)、(III)、(III-A)、(IV)和(IV-A)的化合物，或其药学上可接受的盐。本文还提供了包含化合物公式(I)、(I-A)、(I-B)、(II)、(II-A)、(II-B)、(III)、(III-A)、(IV)和(IV-A)或其药学上可接受的盐的制药组合物，并提供了使用公式(I)、(I-A)、(I-B)、(II)、(II-A)、(II-B)、(III)、(III-A)、(IV)和(IV-A)或其药学上可接受的盐的方法，例如用于治疗精神健康疾病或障碍。
• A Potent PDK4 Inhibitor for Treatment of Heart Failure with Reduced Ejection Fraction
  作者：Kenichi Aizawa、Akari Ikeda、Shota Tomida、Koki Hino、Yuuki Sugita、Tomoyasu Hirose、Toshiaki Sunazuka、Hiroshi Kido、Shigeyuki Yokoyama、Ryozo Nagai

  DOI：10.3390/cells13010087

  日期：——

  Heart failure with reduced ejection fraction (HFrEF) is characterized not only by reduced left ventricular ejection fraction (EF) but is also combined with symptoms such as dyspnea, fatigue, and edema. Several pharmacological interventions have been established. However, a treatment targeting a novel pathophysiological mechanism is still needed. Evidence indicating that inhibition of pyruvate dehydrogenase kinase 4 (PDK4) may be cardioprotective has been accumulating. Thus, we focused on vitamin K3 and used its framework as a new PDK4 inhibitor skeleton to synthesize new PDK4 inhibitors that show higher activity than the existing PDK4 inhibitor, dichloroacetic acid, and tested their cardioprotective effects on a mouse heart failure model. Among these inhibitors, PDK4 inhibitor 8 improved EF the most, even though it did not reverse cardiac fibrosis or wall thickness. This novel, potent PDK4 inhibitor may improve EF of failing hearts by regulating bioenergetics via activation of the tricarboxylic acid cycle.

  射血分数降低型心力衰竭（HFrEF）的特点不仅是左心室射血分数（EF）降低，而且还伴有呼吸困难、疲劳和水肿等症状。目前已确立了几种药物干预方法。然而，针对新的病理生理机制的治疗方法仍有待开发。越来越多的证据表明，抑制丙酮酸脱氢酶激酶 4（PDK4）可能具有保护心脏的作用。因此，我们关注维生素 K3，并利用其框架作为新的 PDK4 抑制剂骨架，合成了比现有 PDK4 抑制剂二氯乙酸活性更高的新 PDK4 抑制剂，并在小鼠心衰模型上测试了它们的心脏保护作用。在这些抑制剂中，PDK4 抑制剂 8 对 EF 的改善最大，尽管它不能逆转心脏纤维化或心壁厚度。这种新型、强效的 PDK4 抑制剂可能通过激活三羧酸循环来调节生物能，从而改善衰竭心脏的 EF。
• A Simple Route to Polysubstituted Indoles Exploiting Azide Induced Furan Ring Opening
  作者：Vladimir T. Abaev、Anastasiya T. Plieva、Petrakis N. Chalikidi、Maxim G. Uchuskin、Igor V. Trushkov、Alexander V. Butin

  DOI：10.1021/ol5018504

  日期：2014.8.15

  A straightforward, efficient indole synthesis based on thermolysis of 2-(2-azidobenzyl)furans with attack of the formed nitrene moiety onto the ipso position of furan ring has been developed. The cyclization is accompanied by furan ring opening and affords indoles with a 2-acylvinyl substituent suitable for further modifications.