5,7-二甲基色酮-3-甲醛 | 62484-76-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 中文名称: 5,7-二甲基色酮-3-甲醛
• 中文别名: 5,7-二甲基色酮；5,7-二甲基-4-氧代-4H-亚甲基-3-甲醛
• 英文名称: 5,7-dimethyl-4-oxo-4H-chromene-3-carbaldehyde
• 英文别名: 5,7-Dimethyl-4-oxo-4H-chromene-3-carbaldehyde；5,7-dimethyl-4-oxochromene-3-carbaldehyde
• CAS: 62484-76-8
• 化学式: C₁₂H₁₀O₃
• mdl: MFCD00051509
• 分子量: 202.21
• InChiKey: MVKCOCQJKGTQAM-UHFFFAOYSA-N

物化性质

• 熔点：
  145-147°C
• 沸点：
  362.7±42.0 °C(Predicted)
• 密度：
  1.311±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 安全说明：
  S22,S24/25
• 海关编码：
  2932999099
• 储存条件：
  存储条件：2-8°C，密封于干燥处。

反应信息

• 作为反应物：
  描述：

  5,7-二甲基色酮-3-甲醛 在 四氯苯醌 、 对甲苯磺酸 作用下， 以 xylene 、 苯 为溶剂， 生成 1,3-dimethyl-benzo[b]chromeno[3,2-f][1,4]thiazepin-13-one
  参考文献：
  名称：

  Reactions of Formylchromone Derivatives; 3¹. A Facile Synthesis of Fused Benzopyrano-benzothiazepinones, -benzoxazepinones, and -benzodiazepinones

  摘要：

  DOI：

  10.1055/s-1979-28669

文献信息

• An environmentally benign cascade reaction of chromone-3-carboxaldehydes with ethyl 2-(pyridine-2-yl)acetate derivatives for highly site-selective synthesis of quinolizines and quinolizinium salts in water
  作者：Li Chen、Rong Huang、Kun Li、Xing-Han Yun、Chang-Long Yang、Sheng-Jiao Yan

  DOI：10.1039/d0gc02460k

  日期：——

  quinolizinium salts (4) from chromone-3-carboxaldehydes 1 with ethyl 2-(pyridine-2-yl)acetate derivatives 2via an unprecedented cascade reaction in water was constructed. As a result, functionalized quinolizines (3) bearing a chromone skeleton were prepared by simple reflux of the mixture of chromone-3-carboxaldehydes with ethyl 2-(pyridine-2-yl)acetate derivatives in water. Quinolizinium salts (4) were

  通过在水中空前的级联反应，由色酮-3-羧醛1与2-（吡啶-2-基）乙酸乙酯衍生物2合成了喹啉嗪（3）和喹啉鎓盐（4）的新方案。其结果是，喹嗪官能（3）带有色酮骨架是由色酮-3-羧醛用2-（吡啶-2-基）的水醋酸酯衍生物的混合物的简单回流制备。喹啉鎓盐（4）也可在酸性条件下在水中制备。喹啉鎓盐的形成伴随有两个键的形成和一个键的裂解在一个步骤中进行。该方案可用于多种喹啉嗪和喹啉鎓盐的合成，适用于喹啉衍生物天然产物的组合和平行合成。这种方法具有许多优点，例如使用环保溶剂，操作简单实用（无需柱色谱分离即可进行过滤和洗涤），产率高（83％至96％）以及形成具有潜在生物活性的产品。
• Synthesis and Screening of Fluoro Substituted Pyrazolyl Benzoxazoles
  作者：R. K Jadhav、A. B Nikumbh、B. K Karale

  DOI：10.13005/ojc/310242

  日期：2015.6.20

  A series of 3-Formylchromone 1 was reacted with 1-(4-(4-fluorophenyl)thiazol-2-yl)hydrazine 2 to get (1-(4-(4-fluorophenyl)thiazol-2-yl)-1H-pyrazol-4-yl)(2-hydroxyphenyl) methanone 3 which on reaction with hydroxylamine hydrochloride given methanone oxime 4 and 4 on treatment with POCl3 formed 2-(1-(4-(4-fluorophenyl)thiazol-2-yl)-1H-pyrazol-4-yl)benzo[d]oxazole 5. The structures of synthesized compounds

  一系列3-甲酰基色酮1与1-（4-（4-氟苯基）噻唑-2-基）肼2反应，得到（1-（4-（4-氟苯基）噻唑-2-基）-1H-吡唑-4-基）（2-羟苯基）甲酮3在与盐酸羟胺反应生成甲酮肟4和4并经POCl3处理后形成2-（1-（4-（4-氟苯基）噻唑-2-基）- 1H-吡唑-4-基）苯并[d]恶唑5.通过光谱分析确认了合成化合物的结构，并对其生物学活性进行了筛选。
• Indolinone combinatorial libraries and related products and methods for the treatment of disease
  申请人：Tang Cho Peng

  公开号：US20050197382A1

  公开（公告）日：2005-09-08

  The present invention relates to organic molecules capable of modulating, regulating and/or inhibiting protein kinase signal transduction. Such compounds are useful for the treatment of diseases related to unregulated protein kinase signal transduction, including cell proliferative diseases such as cancer, atherosclerosis, arthritis and restenosis and metabolic diseases such as diabetes. The present invention features indolinone compounds that potently inhibit protein kinases and related products and methods. Inhibitors specific to the FLK protein kinase can be obtained by adding chemical substituents to the 3-[(indole-3-yl)methylene]-2-indolinone, in particular at the 1′ position of the indole ring. Indolinone compounds that specifically inhibit the FLK and platelet derived growth factor protein kinases can harbor a tetrahydroindole or cyclopentano-b-pyrrol moiety. Indolinone compounds that are modified with substituents, particularly at the 5 position of the oxindole ring, can effectively activate protein kinases. This invention also features novel hydrosoluble indolinone compounds that are tyrosine kinase inhibitors and related products and methods.

  本发明涉及有机分子，能够调节、调控和/或抑制蛋白激酶信号转导。这些化合物对于治疗与不受调节的蛋白激酶信号转导相关的疾病非常有用，包括细胞增殖性疾病，如癌症、动脉粥样硬化、关节炎、再狭窄和代谢性疾病，如糖尿病。本发明涉及具有强效抑制蛋白激酶和相关产品以及方法的吲哚酮化合物。特定于FLK蛋白激酶的抑制剂可以通过在吲哚环的1'位置添加化学取代基来获得3-[(吲哚-3-基)亚甲基]-2-吲哚酮。特异性抑制FLK和血小板衍生生长因子蛋白激酶的吲哚酮化合物可以具有四氢吲哚或环戊烯基-β-吡咯基。在氧吲哚环的5位取代基的修饰下，吲哚酮化合物可以有效激活蛋白激酶。本发明还涉及新型水溶性吲哚酮化合物，它们是酪氨酸激酶抑制剂和相关产品和方法。
• PYRROL-1-YL BENZOIC ACID DERIVATIVES USEFUL AS MYC INHIBITORS
  申请人：DANA-FARBER CANCER INSTITUTE, INC.

  公开号：US20150291521A1

  公开（公告）日：2015-10-15

  The present invention provides compounds of Formula (I-A), (I-B), and (I-C), pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof. Compounds of the present invention are useful for inhibiting Myc (e.g., c-Myc) activity. The present invention further provides methods of using the compounds described herein for treating Myc-mediated disorders (e.g., cancer and other proliferative diseases). The present invention also provides assays for identifying Myc inhibitors.

  本发明提供了公式(I-A)、(I-B)和(I-C)的化合物，其药学上可接受的盐以及其制药组合物。本发明的化合物可用于抑制Myc（例如c-Myc）的活性。本发明还提供了使用本文所描述的化合物治疗Myc介导的疾病（例如癌症和其他增殖性疾病）的方法。本发明还提供了用于鉴定Myc抑制剂的检测方法。
• Compositions and methods for treating neoplasia, inflammatory disease and other disorders
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：US10407441B2

  公开（公告）日：2019-09-10

  The invention features compositions and methods for treating or preventing a neoplasia. More specifically, the invention provides compositions and methods for disrupting the interaction of a BET family polypeptide comprising a bromodomain with chromatin (e.g., disrupting a bromodomain interaction with an acetyl-lysine modification present on a histone N-terminal tail).

  本发明的特点是治疗或预防肿瘤的组合物和方法。 更具体地说，本发明提供了破坏包含溴多聚酶链的 BET 家族多肽与染色质相互作用的组合物和方法（例如，破坏溴多聚酶链与存在于组蛋白 N 端尾上的乙酰-赖氨酸修饰的相互作用）。

表征谱图