2,4-dipropoxybenzaldehyde | 156744-09-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2,4-dipropoxybenzaldehyde
• CAS: 156744-09-1
• 化学式: C₁₃H₁₈O₃
• mdl: MFCD02647349
• 分子量: 222.284
• InChiKey: MVOWILXGBBQBMR-UHFFFAOYSA-N

物化性质

• 沸点：
  352.4±22.0 °C(Predicted)
• 密度：
  1.033±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  16
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.461
• 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：

  海因 、 2,4-dipropoxybenzaldehyde 在 碳酸氢钠 、 C.I.酸性橙108 作用下， 以 乙醇 、 水 为溶剂， 以89.8%的产率得到(Z)-5-(2,4-dipropoxybenzylidene)imidazolidine-2,4-dione
  参考文献：
  名称：

  Phenylmethylene hydantoins as prostate cancer invasion and migration inhibitors. CoMFA approach and QSAR analysis

  摘要：

  Prostrate cancer constitutes the second leading cause of cancer deaths in men in United States. In the process of discovery of new antiproliferative and anti-metastatic agents against prostate cancer, marine-derived phenylmethylene hydantoin (PMH) derivatives were identified with activity level range between 50 and 200 mu M. 3D-QSAR CoMFA model was used in virtual screening of commercially available derivatives of PMH. PMH derivatives with manifold increase in anti-migratory and anti-invasive activities were discovered using wound-healing and Cultrex invasion assays. Benzene ring replacement with other heterocyclic rings did not significantly improve the methylene hydantoins activities. Multivariate analysis performed on the whole series of methylene hydantoins, which further supported the findings of CoMFA model. Predictive QSAR model with conventional r(2) and cross-validated coefficient (q(2)) values up to 0.982 and 0.803 were established. The molecular volume (MV) and the log P were identified as critical parameters for methylene hydatoins migration inhibitory activity. PMH is a novel anti-metastatic lead class with potential therapeutic activity against prostate cancer. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.08.066
• 作为产物：
  描述：

  溴丙烷 、 2,4-二羟基苯甲醛 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.5h， 以90%的产率得到2,4-dipropoxybenzaldehyde
  参考文献：
  名称：

  设计，合成和3-和亚苄基吲哚-2-酮衍生物，一种新型的MDM2-p53相互作用的小分子抑制剂的体外和体内抗肿瘤活性

  摘要：

  使用结合了药效团和基于结构的方法的集成虚拟筛选策略，鉴定了一类新型的MDM2-p53与（E）-3-苄叉二氮杂-2-酮骨架的小分子抑制剂。命中优化确定了几种比命中化合物和阳性药物nutlin-3a更有效的化合物，尤其是化合物1b，它们对MDM2的结合亲和力最高（K i  = 0.093μM），对HCT116的抗增殖活性最强（野生型p53）细胞（GI 50  = 13.42μM）。另外，1b剂量依赖性抑制携带CT26结肠癌的BALB / c小鼠的肿瘤生长，没有明显的毒性迹象。总而言之，化合物1b代表了一种新的且有前途的先导结构，可用于开发抗癌药物MDM2–p53相互作用破坏剂。

  DOI：

  10.1016/j.ejmech.2014.05.027

文献信息

• [EN] ANABASEINE DERIVATIVES USEFUL IN THE TREATMENT OF DEGENERATIVE DISEASES OF THE NERVOUS SYSTEM<br/>[FR] DERIVES D'ANABASEINE UTILISES DANS LE TRAITEMENT DE TROUBLES DEGENERATIFS DU SYSTEME NERVEUX
  申请人：UNIVERSITY OF FLORIDA

  公开号：WO1994005288A1

  公开（公告）日：1994-03-17

  (EN) Novel anabaseine and anabasine derivatives are useful for stimulating brain cholinergic transmission, and have utility in the treatment of degenerative diseases of the nervous system.(FR) De nouveaux dérivés d'anabaséine et d'anabasine peuvent être utilisés pour stimuler la transmission cholinergique dans le cerveau, et pour traiter des troubles dégénératifs du système nerveux.

  （EN）新型的anabaseine和anabasine衍生物可用于刺激大脑胆碱能传递，并在治疗神经系统退行性疾病方面具有用途。 （FR）新型anabaséine和anabasine衍生物可用于刺激大脑胆碱能传递，并用于治疗神经系统的退行性疾病。
• Pyrazolidinedione derivatives
  申请人：Fretz Heinz

  公开号：US20070037846A1

  公开（公告）日：2007-02-15

  The present invention relates to compounds of alkylidene pyrazolidinedione derivatives, which are effective platelet ADP receptor antagonists that prevent platelet aggregation and thrombosis. Thus, the present invention also relates to pharmaceutical compositions that contain the compounds as well as methods of preventing or treating peripheral, visceral, hepatic, renal, cardio- and cerebro-vascular diseases and conditions that are associated with platelet aggregation, including thrombosis, in humans and other mammals. The present invention further provides a process for manufacturing the alkylidene pyrazolidinedione derivatives.

  本发明涉及烷基亚胺吡唑啉二酮衍生物化合物，其为有效的血小板ADP受体拮抗剂，可预防血小板聚集和血栓形成。因此，本发明还涉及包含该化合物的制药组合物，以及用于预防或治疗与血小板聚集有关的外周、内脏、肝、肾、心血管和脑血管疾病和病状的方法，包括血栓形成，在人类和其他哺乳动物中。本发明还提供一种制造烷基亚胺吡唑啉二酮衍生物的方法。
• A composition for increasing the anti-cancer activity of an anti-cancer compound
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP0180188A2

  公开（公告）日：1986-05-07

  A composition for increasing the anti-cancer activity of an anti-cancer compound selected from among 5-fluorouracil and a compound capable of producing 5-fluorouracil in vivo, the composition comprising an effective amount of a pyridine derivative represented by the formula wherein R1 is hydroxy or acyloxy, R2 and R4 are each hydrogen, halogen, amino, carboxyl, carbamoyl, cyano, nitro, lower alkyl, lower alkenyl or lower alkoxycarbonyl, R3 and R are each hydrogen, hydroxy or acyloxy; when at least one of R1, R3 and R5 is hydroxy, the structure of 1-position on the pyridine rina can be duetothe due to the keto-enol tautomerism, said hydrogen attached to nitrogen being optionally substituted with a substituent selected from the group consisting of lower alkyl, tetrahydrofuranyl, tetrahydropyranyl, lower alkoxy-lower alkyl, phthalidyl, carbamoyl, lower alkoxycarbonyl-lower alkylcarbamoyl, phenyl-lower alkoxy-lower alkyl, phenylcarbamoyl which may have a substituent on the phenyl ring, lower alkylcarbamoyl, carboxy-lower alkylcarbamoyl, lower alkylthio-lower alkyl and lower alkenyl, provided that the compound having the following formula is excluded, wherein a is hydrogen, lower alkyl, tetrahydrofuranyl, tetrahydropyranyl, lower alkoxy-lower alkyl, lower alkylcarbamoyl, lower alkylthio-lower alkyl or lower alkenyl.

  一种提高选自5-氟尿嘧啶和一种能在体内产生5-氟尿嘧啶的化合物的抗癌活性的组合物，该组合物包括有效量的由式表示的吡啶衍生物 其中 R1 是羟基或酰氧基，R2 和 R4 分别是氢、卤素、氨基、羧基、氨基甲酰基、氰基、硝基、低级烷基、低级烯基或低级烷氧基羰基，R3 和 R 分别是氢、羟基或酰氧基；当 R1、R3 和 R5 中至少有一个是羟基时，吡啶里纳上 1 位的结构可以是 当 R1、R3 和 R5 中至少有一个是羟基时，吡啶里纳上 1 位的结构可以是酮烯醇同分异构，所述连接到氮上的氢可选择被选自低烷基、四氢呋喃基、四氢吡喃基、低烷氧基低烷基、邻苯二甲酰基、氨基甲酰基、低烷氧基羰基低烷基氨基甲酰基组成的取代基取代、苯基-低级烷氧基-低级烷基、苯基氨基甲酰基（苯基环上可能有取代基）、低级烷基氨基甲酰基、羧基-低级烷基氨基甲酰基、低级烷硫基-低级烷基和低级烯基，但具有下式的化合物除外、 其中 a 为氢、低级烷基、四氢呋喃基、四氢呋喃基、低级烷氧基低级烷基、低级烷基氨基甲酰基、低级烷硫基低级烷基或低级烯基。
• 5-flurorouracil derivatives
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP0247381A2

  公开（公告）日：1987-12-02

  This invention relates to a 5-fluorouracil derivative represented by the formula wherein RY is a hydrogen atom or a specific acyl group, Z is a phenyl-lower alkoxy-lower alkyl group, thienyl-lower alkyl group optionally substituted with halogen atom on the thienyl ring, or a group wherein R1 and R2 are each a hydrogen atom, a specific acyl group, phenyl-lower alkyl group having a group RxOCO- on the phenyl ring, or a group -(A)nB, R" being a specific organic group, A being a lower alkylene group, n being 0 or 1, and B being a 5- or 6-membered unsaturated heterocyclic group having 1 to 4 hetero-atoms selected from nitrogen, oxygen and sulfur and optionally having a benzene ring, naphthalene ring or pyridine ring condensed therewith, with the proviso that when R is a hydrogen atom or acyl group, R2 is not a hydrogen atom or acyl group; to a process for preparing the same; to an anticancer composition comprising an effective amounts of the same; and to use of the same for preparation of an anticancer composition.

  本发明涉及一种 5-氟尿嘧啶衍生物，其式如下 其中 RY 是氢原子或特定酰基，Z 是苯基-低级烷氧基-低级烷基，噻吩基-低级烷基，可选择在噻吩基环上被卤素原子取代，或一个基团 其中 R1 和 R2 分别是氢原子、特定的酰基、苯基环上带有基团 RxOCO- 的苯基-低级烷基或基团-(A)nB，R "是特定的有机基团，A 是低级亚烷基，n 是 0 或 1、和 B 是 5 或 6 元不饱和杂环基团，具有 1 至 4 个选自氮、氧和硫的杂原子，并可选具有苯环、萘环或吡啶环，但当 R 是氢原子或酰基时，R2 不是氢原子或酰基；制备上述物质的工艺；包含有效量上述物质的抗癌组合物；以及使用上述物质制备抗癌组合物。
• EPIDERMAL GROWTH FACTOR RECEPTOR INHIBITORS
  申请人：Joint Stock Company "Biocad"

  公开号：EP3693365A1

  公开（公告）日：2020-08-12

  The present invention relates to novel compounds of formula I, or pharmaceutically acceptable salts, solvates or stereoisomers thereof, also to a pharmaceutical composition, a method for inhibiting biological activity of epidermal growth factor receptor (EGFR), a method for treating diseases or disorders mediated by the activation of EGFR and use of the present compounds or the present pharmaceutical composition for the treatment of a disease or disorder mediated by the activation of EGFR.

  本发明涉及式 I 的新型化合物、 或其药学上可接受的盐、溶解物或立体异构体，还涉及一种药物组合物、一种抑制表皮生长因子受体（EGFR）生物活性的方法、一种治疗由 EGFR 活化介导的疾病或紊乱的方法，以及使用本发明化合物或本发明药物组合物治疗由 EGFR 活化介导的疾病或紊乱。