4-methyl-pent-2-enoic acid amide | 61892-67-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 4-methyl-pent-2-enoic acid amide
• 英文别名: 4-Methyl-pent-2-ensaeure-amid；n-Isopropylacrylamine；4-methylpent-2-enamide
• CAS: 61892-67-9
• 化学式: C₆H₁₁NO
• 分子量: 113.159
• InChiKey: MXEMAOPYTXHVEM-UHFFFAOYSA-N

物化性质

• 熔点：
  83-86 °C
• 沸点：
  233.0±13.0 °C(Predicted)
• 密度：
  0.924±0.06 g/cm3(Predicted)
• 稳定性/保质期：

  存在于烟气中。

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  8
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  4-methyl-pent-2-enoic acid amide 、 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 以28.9%的产率得到(E)-N-(3-((2-((6-methoxypyridin-3-yl)amino)-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-yl)oxy)phenyl)-4-methylpent-2-enamide
  参考文献：
  名称：

  Discovery of thiapyran-pyrimidine derivatives as potential EGFR inhibitors

  摘要：

  A series of novel thiapyran-pyrimidine derivatives (10a-10h, 11a-11g, 12a-12f, 13a-13f, 14a-14f) were synthesized and their antiproliferative activities were tested. Most of the target compounds showed good activity on one or more cancer cell lines but low activity on human normal cell LO2. The most promising compound 13a exhibited the similar IC50 values on A549 and H1975 cell lines to the lead drug Olmutinib, and exhibited excellent activity and selectivity on EGFR(T790M/L858R) in the kinase experiment. AO and Hoechst33258 staining indicated that 13a could effectively induce H1975 cells apoptosis. Cell cycle and apoptosis analysis suggested that 13a could block cancer cells in G2/M phase and induce into late apoptosis in a manner of concentration-dependent. The structure-activity relationship of 13a was analyzed to explore its mechanism. All the results showed that 13a was a promising EGFR inhibitor.

  DOI：

  10.1016/j.bmc.2020.115669
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 乙醚 、 氨 作用下， 生成 4-methyl-pent-2-enoic acid amide
  参考文献：
  名称：

  v.Auwers, Justus Liebigs Annalen der Chemie, 1923, vol. 432, p. 65

  摘要：

  DOI：

文献信息

• [EN] QUINOLONE DERIVATIVES AS FIBROBLAST GROWTH FACTOR RECEPTOR INHIBITORS<br/>[FR] DÉRIVÉS DE QUINOLONE UTILISÉS EN TANT QU'INHIBITEURS DU RÉCEPTEUR DU FACTEUR DE CROISSANCE DES FIBROBLASTES
  申请人：PRINCIPIA BIOPHARMA INC

  公开号：WO2016191172A1

  公开（公告）日：2016-12-01

  Compounds of formula (I) that are Fibroblast Growth Factor Inhibitors (FGFR) and are therefore useful for the treatment of diseases treatable by inhibition of FGFR are disclosed. Also disclosed are pharmaceutical compositions containing such compounds and processes for preparing such compounds.

  公式(I)的化合物是成纤维细胞生长因子抑制剂（FGFR），因此可用于治疗可通过抑制FGFR治疗的疾病。还披露了包含此类化合物的药物组合物以及制备此类化合物的过程。
• SUBSTITUTED BENZO[d][1,3]OXAZIN-2(4H)-ONES AND RELATED DERIVATIVES AND THEIR USES FOR MODULATING THE PROGESTERONE RECEPTOR
  申请人：Commons Thomas Joseph

  公开号：US20090197878A1

  公开（公告）日：2009-08-06

  Compounds of formula (I), or pharmaceutically acceptable salts thereof, are provided, wherein R 1 -R 6 and X are defined herein. Also provided are methods of preparing the compounds of formula (I), pharmaceutical compositions and kits containing a compound of formula (I), as are methods of treating endometriosis, hormone-dependent carcinomas, leiomyoma, fibroids, dysfunctional bleeding, polycystic ovary syndrome, and menopause related symptoms; methods of contraception; methods of providing hormone replacement therapy; methods of stimulating food intake; methods of synchronizing estrus; and methods of treating symptoms of premenstrual syndrome and premenstrual dysphoric disorder by administering to a mammal in need thereof a pharmaceutically effective amount of a compound of formula (I).

  提供式(I)的化合物，或其药学上可接受的盐，其中R1-R6和X在此处有定义。还提供了制备式(I)化合物的方法，含有式(I)化合物的药物组合物和试剂盒，以及治疗子宫内膜异位症、激素依赖性癌症、平滑肌瘤、子宫肌瘤、功能性出血、多囊卵巢综合征和与更年期相关症状的方法；避孕方法；提供激素替代疗法的方法；促进食欲的方法；同步发情的方法；以及通过向需要的哺乳动物施用式(I)化合物的药学有效量来治疗经前综合征和经前期情感障碍症状的方法。
• Method of emulsion polymerization
  申请人：Aert Van Huub

  公开号：US20050020787A1

  公开（公告）日：2005-01-27

  A method has been disclosed of preparing ultrafine hydrophobic latex particles of polymers and copolymers by free radical emulsion polymerization in a water-based system, making use therefor, in order to polymerize or copolymerize monomers or monomer mixtures respectively, of at least one compound selected from the group consisting of dimers and cobalt complexes, acting as a chain transfer agent (CTA), wherein said latex particles have an average particle size of less than 100 nm, being more than 10% lower than if prepared in the absence of said CTA, characterized in that said polymerization is conducted in a water-based reaction in the presence of a chain transfer agent and of a surfactant, wherein said surfactant is present in a concentration versus said monomer or monomer mixture of from 5 up to 25% by weight for a non-ionic surfactant or from 0.05 up to 10% by weight for an ionic surfactant, more particularly a surfactant in a concentration below twice its critical micelle concentration.

  一种制备超细疏水乳胶聚合物和共聚物颗粒的方法已经被披露，该方法通过自由基乳液聚合在水基体系中使用二聚体和钴络合物等化合物作为链转移剂(CTA)来聚合或共聚单体或单体混合物，其中所述乳胶颗粒具有平均粒径小于100纳米，比在无CTA存在的情况下制备的平均粒径低至少10％，其特征在于所述聚合是在水基反应中，在链转移剂和表面活性剂的存在下进行的，其中所述表面活性剂在非离子表面活性剂的情况下与所述单体或单体混合物的浓度比为5％至25％重量，或在离子表面活性剂的情况下与所述单体或单体混合物的浓度比为0.05％至10％重量，更具体地说，是在其临界胶束浓度以下的浓度下的表面活性剂。
• Method For Evaluating Birefringence Of Adhesive, Method For Designing Adhesive, Method For Producing Adhesive, Adhesive, Polarizing Plate, Liquid Crystal Display Device, Method For Producing Polarizing Plate And Method For Producing Liquid Crystal Display Device
  申请人：Koike Yasuhiro

  公开号：US20130215362A1

  公开（公告）日：2013-08-22

  Methods of evaluating birefringence of an adhesive agent, and of designing and producing an adhesive agent using the evaluation method, as well as adhesive agents produced using these methods. A polarizing plate and a liquid crystal display device using the obtained adhesive agent are proposed, as well as methods for producing the same.

  本发明涉及一种评估粘合剂双折射性能的方法，以及使用该评估方法设计和生产粘合剂的方法，以及使用这些方法生产的粘合剂。本发明还提出了一种使用所得粘合剂的偏振板和液晶显示器件，以及生产它们的方法。
• Purinone Derivatives as Tyrosine Kinase Inhibitors
  申请人：Principia Biopharma Inc.

  公开号：US20160257686A1

  公开（公告）日：2016-09-08

  The present disclosure provides compounds and pharmaceutically acceptable salts thereof that are tyrosine kinase inhibitors, in particular BLK, BMX, EGFR, HER2, HER4, ITK, TEC, BTK, and TXK and are therefore useful for the treatment of diseases treatable by inhibition of tyrosine kinases such as autoimmune diseases, cancer and inflammatory diseases. Also provided are pharmaceutical compositions containing such compounds and pharmaceutically acceptable salts thereof and processes for preparing such compounds and pharmaceutically acceptable salts thereof.

  本公开提供的化合物及其药学上可接受的盐是酪氨酸激酶抑制剂，特别是BLK、BMX、EGFR、HER2、HER4、ITK、TEC、BTK和TXK，因此可用于治疗可通过抑制酪氨酸激酶治疗的疾病，如自身免疫性疾病、癌症和炎症性疾病。还提供了含有这些化合物及其药学上可接受的盐的药物组合物以及制备这些化合物及其药学上可接受的盐的过程。