2-amino-2-methyl-hex-5-enoic acid | 59302-21-5

• 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: 2-amino-2-methyl-hex-5-enoic acid
• 英文别名: 2-Amino-2-methyl-hex-5-ensaeure；2-Amino-2-methyl-hexen-(5)-saeure；2-Amino-2-methylhex-5-enoic acid
• CAS: 59302-21-5
• 化学式: C₇H₁₃NO₂
• 分子量: 143.186
• InChiKey: OQVMALDNOMXRAP-UHFFFAOYSA-N

物化性质

• 沸点：
  249.7±28.0 °C(Predicted)
• 密度：
  1.041±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.7
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  63.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-amino-2-methyl-hex-5-enoic acid 、 苯甲酰氯 在 sodium hydroxide 作用下， 生成 2-benzoylamino-2-methyl-hex-5-enoic acid
  参考文献：
  名称：

  Ipatow, Zhurnal Obshchei Khimii, 1941, vol. 11, p. 605,606

  摘要：

  DOI：
• 作为产物：
  描述：

  5-丁-3-烯基-5-甲基咪唑烷-2,4-二酮 在 barium dihydroxide 作用下， 生成 2-amino-2-methyl-hex-5-enoic acid
  参考文献：
  名称：

  Potential Growth Antagonists. I. Hydantoins and Disubstituted Glycines^1,2

  摘要：

  DOI：

  10.1021/jo01081a024

文献信息

• Metabolic delivery of coenzyme A analogs
  申请人：Burkart D. Michael

  公开号：US20070128683A1

  公开（公告）日：2007-06-07

  Methods to generate analogs of coenzyme A in vitro and in vivo are disclosed. The methods comprise reacting pantetheine or a derivative thereof with a reporter to form labeled pantetheine or a derivative thereof, phosphorylating the labeled pantetheine or derivative thereof to form phosphopantetheine or a derivative thereof, adenylating the labeled phosphopantetheine or derivative thereof to form a labeled dephosphoCoenzyme A or derivative thereof, and phosphorylating the 3′-hydrozyl of the labeled dephosphoCoenzume A or derivative thereof to form a labeled coenzyme A analog or derivative thereof.

  本发明公开了在体内外生成辅酶A类似物的方法。该方法包括将泛酰胺或其衍生物与报告物反应以形成标记的泛酰胺或其衍生物，将标记的泛酰胺或其衍生物磷酸化以形成磷酸泛酰胺或其衍生物，将标记的磷酸泛酰胺或其衍生物腺苷化以形成标记的脱磷酸辅酶A或其衍生物，以及将标记的脱磷酸辅酶A或其衍生物的3'-羟基磷酸化以形成标记的辅酶A类似物或其衍生物。
• Methods for Generating Analogs of Coenzyme A
  申请人：Burkart Michael D.

  公开号：US20100304430A1

  公开（公告）日：2010-12-02

  Methods to generate analogs of coenzyme A in vivo are disclosed. The methods to generate analogs of coenzyme A in a cell comprise reacting pantetheine or a derivative thereof with a reporter to form labeled pantetheine or a derivative thereof, contacting the cell with the labeled pantetheine or derivative thereof such that the labeled pantetheine or derivative thereof enters the cell, phosphorylating the labeled pantetheine or derivative thereof to form phosphopantetheine or a derivative thereof, adenylating the labeled phosphopantetheine or derivative thereof to form a labeled dephosphoCoenzyme A or derivative thereof, and phosphorylating the 3′-hydroxyl of the labeled dephosphoCoenzyme A or derivative thereof to form a labeled coenzyme A analog or derivative thereof.

  本文公开了一种在体内生成辅酶A类似物的方法。在细胞内生成辅酶A类似物的方法包括将泛酰胺或其衍生物与报告物质反应以形成标记的泛酰胺或其衍生物，将标记的泛酰胺或其衍生物与细胞接触，使标记的泛酰胺或其衍生物进入细胞，磷酸化标记的泛酰胺或其衍生物以形成磷酸泛酰胺或其衍生物，腺苷酸化标记的磷酸泛酰胺或其衍生物以形成标记的去磷酸辅酶A或其衍生物，然后磷酸化标记的去磷酸辅酶A或其衍生物的3'-羟基，以形成标记的辅酶A类似物或其衍生物。
• Novel antihypertensive agent
  申请人：MERRELL DOW PHARMACEUTICALS INC.

  公开号：EP0249224A2

  公开（公告）日：1987-12-16

  This invention relates to derivatives of fused cyclic azepin-2-ones, to the intermediates and processes useful for their preparation, and to their use as angiotensin converting enzyme inhibitors and to their end-use application as antihypertensive agents.

  本发明涉及融合环氮杂环庚-2-酮的衍生物、用于制备它们的中间体和工艺、它们作为血管紧张素转换酶抑制剂的用途以及它们作为降压药的最终用途。
• Targeting deregulated Wnt signaling in cancer using stabilized alpha-helices of BCL-9
  申请人：DANA-FARBER CANCER INSTITUTE, INC.

  公开号：US11220532B2

  公开（公告）日：2022-01-11

  The invention provides structurally-constrained peptides by hydrocarbon stapling of a BCL9 HD2 helix for use as a therapeutic agent. The invention further provides methods and kits for use of the structurally-constrained peptide of the instant invention. The invention is based, at least in part, on the results provided herein demonstrating that hydrocarbon stapled helical peptides display excellent proteolytic, acid, and thermal stability, restore the native helical structure of the peptide, possess superior pharmacokinetic properties compared to the corresponding unmodified peptides, and are highly effective in binding to β-catenin in vitro, in cellulo, and in vivo, disrupting the BCL9/β-catenin interaction, and thereby interfering with deregulated Wnt/β-catenin signaling for therapeutic benefit in a variety of human diseases including human cancer.

  本发明通过对 BCL9 HD2 螺旋进行碳氢化合物钉合，提供了用作治疗剂的结构受限肽。本发明进一步提供了使用本发明结构受限肽的方法和试剂盒。本发明至少部分基于本文提供的结果，即碳氢化合物钉合的螺旋肽显示出优异的蛋白水解稳定性、酸稳定性和热稳定性，恢复了肽的原生螺旋结构，与相应的未修饰肽相比具有优异的药代动力学特性、并能在体外、细胞内和体内高效地与β-catenin结合，破坏BCL9/β-catenin的相互作用，从而干扰失调的Wnt/β-catenin信号传导，对包括人类癌症在内的多种人类疾病有治疗效果。
• METHODS AND COMPOSITIONS FOR INHIBITING NEDDYLATION OF PROTEINS
  申请人：Monda Julie K.

  公开号：US20140179593A1

  公开（公告）日：2014-06-26

  Provided herein is a novel binding pocket within NEDD8 co-E3 proteins that binds NEDD8 E2 enzymes. Particularly at its M-Terminus. Methods are provided for screening for compounds that bind to the disclosed E2-binding pocket in NEDD8 co-E3 proteins. Compounds that bind to the E2-binding pocket and optionally inhibit the activity of NEDD8 co-E3 proteins and pharmaceutical compositions comprising the same are further provided. The NEDD8 co-E3 inhibitors find use, as agents preventing the NEDDylation of a target protein, in inhibiting cell growth and methods for treating cancers, inflammatory disorders, and pathogenic infections. The preferred inhibitors are peptides corresponding to a M-terminal fragment of Dnc1, e.g. MTLASKLKRDD, MLKLRQLQKKKQ, and MIKLFSLKQQKK, which are substituted at the M-Terminus with an uncharged group (e.g. acyl).