N-acryloyl alanine | 10353-17-0

• 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: N-acryloyl alanine
• 英文别名: N-Acryloyl-DL-alanin；n-Acryloylalanine；2-(prop-2-enoylamino)propanoic acid
• CAS: 10353-17-0
• 化学式: C₆H₉NO₃
• 分子量: 143.142
• InChiKey: PPRBGMXQDAMDAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-acryloyl alanine 在 吡啶 、 乙酸酐 作用下， 生成 N-<1-Methyl-2-oxo-propyl>-acrylsaeureamid
  参考文献：
  名称：

  Synthesis of N-[1-(1-substituted 2-oxopropyl)]acrylamides and -methylacrylamides. Isolation and some reactions of intermediates of the Dakin-West reaction

  摘要：

  DOI：

  10.1021/jo01288a039
• 作为产物：
  描述：

  丙烯酰氯 、 DL-丙氨酸 在 potassium carbonate 作用下， 以 水 为溶剂， 反应 2.33h， 生成 N-acryloyl alanine
  参考文献：
  名称：

  JP5978059

  摘要：

  公开号：

文献信息

• [EN] HETEROCYCLYL SUBSTITUTED PYRROLOPYRIDINES THAT ARE INHIBITORS OF THE CDK12 KINASE<br/>[FR] PYRROLOPYRIDINES À SUBSTITUTION HÉTÉROCYCLYLE UTILISÉES EN TANT QU'INHIBITEURS DE LA KINASE CDK12
  申请人：UNIV NOTTINGHAM

  公开号：WO2019058132A1

  公开（公告）日：2019-03-28

  This invention relates to compounds that are inhibitors of the CDK12 kinase. The compounds are useful in the treatment of disorders mediated by CDK12 kinase including myotonic dystrophy type 1 (DM1) and other disorders caused by the generation of RNA repeat expansion transcripts. In particular,the invention relates to compounds of the formula (I), or a pharmaceutically acceptable salts or N-oxides thereof, wherein R1a, R2, R3, R4a, R4b and R4c are as defined herein.

  这项发明涉及抑制CDK12激酶的化合物。这些化合物可用于治疗由CDK12激酶介导的疾病，包括1型肌强直性营养不良（DM1）和其他由RNA重复扩展转录物引起的疾病。特别是，该发明涉及公式（I）的化合物，或其药用可接受的盐或N-氧化物，其中R1a, R2, R3, R4a, R4b和R4c按本文定义。
• Design, synthesis, and biological evaluation of novel covalent inhibitors targeting focal adhesion kinase
  作者：Tao Chen、Yan Liu、Mingsong Shi、Minghai Tang、Wenting Si、Xue Yuan、Yi Wen、Lijuan Chen

  DOI：10.1016/j.bmcl.2021.128433

  日期：2021.12

  Forty-one new focal adhesion kinase (FAK) covalent inhibitors were designed and synthesized based on FAK inhibitor TAE226. Compound 11w displayed the highest inhibition of FAK with an IC50 value of 35 nM and exhibited potent anticancer activity against Hela, HCT116 and MDA-MB-231 cell lines with IC50 values of 0.41, 0.01 and 0.11 μM respectively, compared to TAE226 (2.68, 0.64 and 4.19 μM respectively)

  基于 FAK 抑制剂 TAE226 设计和合成了 41 种新型粘着斑激酶 (FAK) 共价抑制剂。与 TAE226 相比，化合物11w对 FAK 的抑制作用最高，IC 50值为 35 nM，对 Hela、HCT116 和 MDA-MB-231 细胞系表现出有效的抗癌活性，IC 50值分别为 0.41、0.01 和 0.11 μM。分别为 2.68、0.64 和 4.19 μM）。11w还抑制HCT-116细胞的克隆形成和迁移，刺激细胞周期停滞在G 2 /M期，诱导肿瘤细胞凋亡。复合11w在对接模型中与 FAK 的 Cys427 残基形成共价键，以剂量依赖性方式抑制 FAK 和下游蛋白的自磷酸化。此外，11w显示足够的口服生物利用度为 21.02%。在 HCT116 异种移植模型中也观察到 74.20% 的肿瘤生长抑制。这些数据表明，11w是一种有前途的 FAK 共价抑制剂。
• Synthesis of Reversible Shell Crosslinked Nanostructures
  申请人：McCormick Charles L.

  公开号：US20080234391A1

  公开（公告）日：2008-09-25

  In one aspect, the present invention is directed to a thermally responsive AB diblock copolymer prepared by RAFT polymerization wherein the diblock copolymer comprises poly(N-(3-aminopropyl)methacrylamide hydrochloride)-block-(N-isopropylacrylamide). Nanostructures of the thermally responsive diblock copolymer are formed by molecularly dissolving the diblock copolymer in aqueous solution at room temperature; and increasing the solution temperature to form nanostructures, for example vesicles or micelles. The first RAFT polymerization of an unprotected amino acid based monomer directly in water is also disclosed. The present invention also provides a method of forming shell cross-linked vesicles by adding a RAFT synthesized anionic homopolymer to a solution of the thermally responsive diblock copolymer. A method of forming interpolyelectrolyte complexed micelles or vesicles is also disclosed, the method comprising preparing by sequential aqueous RAFT polymerization a block copolymer comprised of N,N,-dimethyl acrylamide (DMA), N-acryloyl alanine (AAL) and N-isopropyl acrylamide (NIPAM); dissolving the block copolymers into aqueous solution; raising the solution temperature above the lower critical solution temperature of the NIPAM block; allowing the micelle solution to equilibrate; adjusting the pH of the solution to about 5; adding a cationic polymer to the solution; and stirring the solution. The reaction is readily reversed by the addition of a salt solution. In another aspect of the invention a reversible shell cross-linked micelle of a triblock copolymer cross-linked with cystamine is disclosed where a cleaving agent can be added to cleave the micelles. The reaction can be reversed with the addition of tris(2-carboxyethyl)phosphine or dithiothreitol.

  在一个方面，本发明涉及一种通过RAFT聚合制备的热响应性AB二嵌段共聚物，其中该二嵌段共聚物包括聚(N-(3-氨丙基)甲基丙烯酰胺盐酸盐)-嵌段-(N-异丙基丙烯酰胺)。通过在室温下将二嵌段共聚物分子溶解在水溶液中，并提高溶液温度形成纳米结构，例如囊泡或胶束。还公开了在水中直接进行的未保护氨基酸基单体的第一次RAFT聚合。本发明还提供了一种通过向热响应性二嵌段共聚物溶液中添加RAFT合成的阴离子均聚物来形成壳交联囊泡的方法。还公开了一种形成互聚电解质复合胶束或囊泡的方法，该方法包括通过顺序水相RAFT聚合制备由N,N-二甲基丙烯酰胺(DMA)、N-丙烯酰基丙氨酸(AAL)和N-异丙基丙烯酰胺(NIPAM)组成的嵌段共聚物；将嵌段共聚物溶解于水溶液中；将溶液温度升至NIPAM块的临界溶液温度以上；使胶束溶液达到平衡；将溶液pH值调整到约5；向溶液中加入阳离子聚合物；并搅拌溶液。通过添加盐溶液可以轻松地逆转反应。在发明的另一个方面，公开了一种可逆的通过半胱氨酸交联的三嵌段共聚物的壳交联胶束，其中可以添加裂解剂来裂解胶束。通过添加三(2-羧乙基)磷或二硫代己醇可以逆转反应。
• Hydrophobic association hydrogels based on N-acryloyl-alanine and stearyl acrylate using gelatin as emulsifier
  作者：Zhao Cui、Ru Cheng、Jie Liu、Youping Wu、Jianping Deng

  DOI：10.1039/c6ra04762a

  日期：——

  Poly(N-acryloyl-alanine)-based hydrophobic association hydrogels were prepared through free radical polymerization of N-acryloyl-alanine (NAA) with ammonium persulfate as initiator, in which hydrophobic monomer stearyl acrylate underwent simultaneous micellar polymerization in the presence of gelatin as emulsifier. Fourier transform infrared spectra and scanning electron microscopy demonstrated the

  通过N的自由基聚合制备聚（N-丙烯酰丙氨酸）基疏水缔合水凝胶。-以过硫酸铵为引发剂的-丙烯酰基-丙氨酸（NAA），其中疏水性单体丙烯酸硬脂基丙烯酸酯在明胶作为乳化剂的情况下同时进行胶束聚合。傅里叶变换红外光谱和扫描电子显微镜证实了所得水凝胶的形成和微观结构。疏水缔合使水凝胶显示出所需的韧性，并且可以模制成各种形状而不会破裂。单轴拉伸试验和循环拉伸试验也证明了水凝胶的高韧性。根据圆二色性光谱，手性单体（NAA）衍生的聚合物链使水凝胶具有光学活性。更令人着迷的是，由于疏水的聚（硬脂基丙烯酸硬脂酸酯）域，水凝胶表现出形状记忆行为。
• Ink composition, inkjet recording method, printed material, and process for producing lithographic printing plate
  申请人：Hayata Yuuichi

  公开号：US20070232722A1

  公开（公告）日：2007-10-04

  An ink composition is provided that includes (A) an N-vinyllactam, (B) a (meth)acrylic acid ester and/or amide having at least 3 alkylene oxide groups per molecule, and (C) a polymerization initiator, the content of the N-vinyllactam (A) being at least 10 wt % of the ink total weight. There is also provided an inkjet recording method that includes (a 1 ) a step of discharging the ink composition onto a recording medium and (b 1 ) a step of curing the ink composition by irradiating the discharged ink composition with actinic radiation. A printed material recorded by the inkjet recording method is also provided. Furthermore, a process for producing a lithographic printing plate is provided that includes (a 2 ) a step of discharging the ink composition onto a hydrophilic support and (b 2 ) a step of curing the ink composition by irradiating the discharged ink composition with actinic radiation so as to form a hydrophobic image on the hydrophilic support by curing the ink composition.

  提供了一种油墨组合物，其中包括（A）N-乙烯内酰胺，（B）至少每个分子具有3个烷氧基团的（甲基）丙烯酸酯和/或酰胺，以及（C）聚合引发剂，其中N-乙烯内酰胺（A）的含量至少占油墨总重量的10重量％。还提供了一种喷墨记录方法，其中包括（a1）将油墨组合物排放到记录介质上的步骤和（b1）通过照射排放的油墨组合物以致固化油墨组合物的步骤。还提供了一种通过喷墨记录方法记录的印刷材料。此外，提供了一种生产平版印刷版的过程，其中包括（a2）将油墨组合物排放到亲水性支撑体上的步骤和（b2）通过照射排放的油墨组合物以致固化油墨组合物的步骤，从而在亲水性支撑体上形成一个疏水图像。