N-己基甘氨酸 | 41331-10-6

• 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
• 中文名称: N-己基甘氨酸
• 英文名称: N-ⁿhexyl glycine
• 英文别名: 2-(hexylamino)acetic acid；N-hexyl-glycine；N-Hexyl-glycin；2-(1-Hexylamino)acetic acid；DL-hexylglycine；N-Hexylglycin
• CAS: 41331-10-6
• 化学式: C₈H₁₇NO₂
• 分子量: 159.228
• InChiKey: DAQPDSNNUNDKNX-UHFFFAOYSA-N

物化性质

• 沸点：
  258.3±23.0 °C(Predicted)
• 密度：
  0.970±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  11
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-己基甘氨酸 在 盐酸 、 sodium nitrite 作用下， 生成 N-hexyl-N-nitroso-glycine
  参考文献：
  名称：

  The Preparation of Substituted Hydrazines. I. Alkylhydrazines via Alkylsydnones¹

  摘要：

  DOI：

  10.1021/ja01612a039
• 作为产物：
  描述：

  正己胺 在 palladium on activated charcoal 、 氢气 、 三乙胺 作用下， 以 乙酸乙酯 、 乙腈 为溶剂， 20.0 ℃ 、303.99 kPa 条件下， 反应 54.0h， 生成 N-己基甘氨酸
  参考文献：
  名称：

  New insights into molecular recognition of 1,1-bisphosphonic acids by farnesyl diphosphate synthase

  摘要：

  As part of our project pointed at the search of new antiparasitic agents against American trypanosomiasis (Chagas disease) and toxoplasmosis a series of 2-alkylaminoethyl-1-hydroxy-1,1-bisphosphonic acids has been designed, synthesized and biologically evaluated against the etiologic agents of these parasitic diseases, Trypanosoma cruzi and Toxoplasma gondii, respectively, and also towards their target enzymes, T. cruzi and T. gondii farnesyl pyrophosphate synthase (FPPS), respectively. Surprisingly, while most pharmacologically active bisphosphonates have a hydroxyl group at the C-1 position, the additional presence of an amino group at C-3 resulted in decreased activity towards either T. cruzi cells or TcFPPS. Density functional theory calculations justify this unexpected behavior. Although these compounds were devoid of activity against T. cruzi cells and TcFPPS, they were efficient growth inhibitors of tachyzoites of T. gondii. This activity was associated with a potent inhibition of the enzymatic activity of TgFPPS. Compound 28 arises as a main example of this family of compounds exhibiting an ED50 value of 4.7 mu M against tachyzoites of T. gondii and an IC50 of 0.051 mu M against TgFPPS. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.11.010

文献信息

• Aliphatic amino carboxylic and amino phosphonic acids, amino nitriles and amino tetrazoles as cellular rescue agents
  申请人：Dyck E. Lillian

  公开号：US20050159393A1

  公开（公告）日：2005-07-21

  Novel compounds of the formula I are described: wherein: R 1 =(CH 2 ) m CH 3 where m is 0 or an integer in the range from 1 to 16, or an alkenyl, alkynyl, alkoxy, alkylthio, or alkyl sulfinyl group having from 2 to 17 carbon atoms, R 2 =H, CH 3 or CH 2 CH 3 R 3 =H or CH 3 R 4 =H or CH 3 R 5 =lower alkyl having from 1 to 5 carbon atoms n is an integer in the range from 1 to 3, and X is carboxyl (COOH) or carbalkoxy (COOR 5 ), cyano (C≡N), phosphonic acid (PO 3 H 2 ), phosphonate ester (PO 3 [R 5 ] 2 ) or 5-tetrazole, and pharmaceutically acceptable salts thereof. Preferably, the compounds are optically pure enantiomers of the R- or S-configuration in which R 3 =R 4 =R 5 =H, R 2 =CH 3 and R 1 is a saturated aliphatic chain of one to five carbon atoms. The compounds are useful as cellular rescue agents.

  描述了公式I的新化合物：其中：R1=(CH2)m ，其中m为0或在1到16范围内的整数，或者为具有2到17个碳原子的烯基、炔基、烷氧基、烷基硫醚或烷基亚砜基团，R2=H、CH3或 ，R3=H或 ，R4=H或 ，R5=具有1到5个碳原子的低碳基，n为1到3范围内的整数，X为羧基（COOH）或羧酰氧基（COOR5）、氰基（C≡N）、膦酸（PO3H2）、膦酸酯（PO3[R5]2）或5-四唑，并且其药学上可接受的盐。优选，这些化合物是R-或S-构型的光学纯对映体，其中R3=R4=R5=H，R2= ，R1是由一到五个碳原子组成的饱和脂肪链。这些化合物可用作细胞救助剂。
• METHOD FOR SYNTHESIZING PEPTIDES IN CELL-FREE TRANSLATION SYSTEM
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：US20200040372A1

  公开（公告）日：2020-02-06

  An objective of the present invention is to provide methods of synthesizing peptides containing structurally diverse amino acids using cell-free translation systems, which can accomplish excellent translational efficiency as compared to conventional techniques (the conventional techniques being methods which involve preparing aminoacyl-tRNAs which do not have protecting groups outside the translation systems without using ARS, and then adding the prepared aminoacyl-tRNAs into translation systems). In the present invention, it was found that amino acid-containing peptides can be synthesized efficiently by protecting an amino acid linked to tRNA with an appropriate protecting group, and then performing the step of deprotecting the protecting group of the amino acid linked to tRNA and the step of peptide translation from a template nucleic acid in a cell-free translation system in parallel.

  本发明的一个目标是提供使用无细胞翻译系统合成含有结构多样的氨基酸的肽的方法，这些方法可以实现与传统技术相比出色的翻译效率（传统技术是指涉及在翻译系统外部准备没有保护基的氨酰-tRNA而不使用ARS的方法，然后将准备好的氨酰-tRNA添加到翻译系统中）。在本发明中，发现通过用适当的保护基保护与tRNA连接的氨基酸，然后并行进行去保护氨基酸与tRNA连接的保护基的步骤和从模板核酸进行肽翻译的步骤，可以高效地合成含有氨基酸的肽。
• Derivatives of glycinamide, their preparation and their use
  申请人：Continental Pharma Inc.

  公开号：US04639468A1

  公开（公告）日：1987-01-27

  A glycinamide derivative of the general formula I: ##STR1## wherein: R is a linear or ramified alkyl group C.sub.5 -C.sub.18, a linear or ramified alkenyl group C.sub.5, C.sub.6, C.sub.7, C.sub.8, C.sub.9, C.sub.10, C.sub.11, C.sub.12, C.sub.13, C.sub.14, C.sub.15, C.sub.16, C.sub.17 or C.sub.18, a linear or ramified alkynyl group C.sub.4 -C.sub.10, a linear or ramified acyl group C.sub.4 -C.sub.18, a linear or ramified alkyl group C.sub.1 -C.sub.10, substituted by a phenoxy group, by a hydroxy radical, by an acetoxy radical, by a carboxy radical, by a linear or ramified alkoxycarbonyl group C.sub.1 -C.sub.4, by a carbonyl radical, by a carboxaldehyde group, by an acetal or cetal group, by one or more phenyl groups, by one or more phenyl groups substituted by a halogen atom such as fluorine, chlorine or bromine, R.sub.1 represents hydrogen, a linear or ramified alkyl group C.sub.1, C.sub.2, C.sub.3, C.sub.4, C.sub.5, C.sub.6, C.sub.7, C.sub.8, C.sub.9 or C.sub.10, a linear or ramified acyl group C.sub.1 -C.sub.6, a benzoyl group, a linear or ramified alkoxycarbonyl group C.sub.1, C.sub.2, C.sub.3, C.sub.4, C.sub.5, C.sub.6, C.sub.7 or C.sub.8, a carboxamidomethyl group, R.sub.2 represents hydrogen, a linear or ramified alkyl C.sub.1, C.sub.2, C.sub.3, a phenyl group, R.sub.3 represents hydrogen, a linear or ramified alkyl group C.sub.1, C.sub.2, C.sub.3, C.sub.4, C.sub.5, C.sub.6, C.sub.7 or C.sub.8, a phenyl group, optionally substituted by a halogen atom, such as fluorine, chlorine or bromine, R.sub.4 represents hydrogen, a linear or ramified alkyl group C.sub.1, C.sub.2, C.sub.3, C.sub.4, C.sub.5, C.sub.6, C.sub.7 or C.sub.8 as well as salts of these derivatives with non toxic and pharmaceutically usable acids.

  一种通式I的甘氨酰衍生物：##STR1## 其中：R是线性或支链烷基C.sub.5-C.sub.18，线性或支链烯基C.sub.5、C.sub.6、C.sub.7、C.sub.8、C.sub.9、C.sub.10、C.sub.11、C.sub.12、C.sub.13、C.sub.14、C.sub.15、C.sub.16、C.sub.17或C.sub.18，线性或支链炔基C.sub.4-C.sub.10，线性或支链酰基C.sub.4-C.sub.18，被苯氧基、羟基、乙酰氧基、羧基、线性或支链烷氧羰基C.sub.1-C.sub.4、羰基、羧醛基、缩醛基取代的线性或支链烷基C.sub.1-C.sub.10，一个或多个苯基取代的苯基，一个或多个卤素原子如氟、氯或溴取代的苯基，R.sub.1代表氢、线性或支链烷基C.sub.1、C.sub.2、C.sub.3、C.sub.4、C.sub.5、C.sub.6、C.sub.7、C.sub.8、C.sub.9或C.sub.10、线性或支链酰基C.sub.1-C.sub.6、苯甲酰基、线性或支链烷氧羰基C.sub.1、C.sub.2、C.sub.3、C.sub.4、C.sub.5、C.sub.6、C.sub.7或C.sub.8、羧酰甲基基团，R.sub.2代表氢、线性或支链烷基C.sub.1、C.sub.2、C.sub.3、苯基，R.sub.3代表氢、线性或支链烷基C.sub.1、C.sub.2、C.sub.3、C.sub.4、C.sub.5、C.sub.6、C.sub.7或C.sub.8、一个或多个卤素原子如氟、氯或溴取代的苯基，R.sub.4代表氢、线性或支链烷基C.sub.1、C.sub.2、C.sub.3、C.sub.4、C.sub.5、C.sub.6、C.sub.7或C.sub.8以及这些衍生物的与无毒和药用酸的盐。
• NOVEL ENZYME
  申请人：DAVIS Benjamin Guy

  公开号：US20100086958A1

  公开（公告）日：2010-04-08

  Novel FDH enzymes are provided herein, including novel NADPH-specific and NADH-specific FDH enzymes. Additionally, methods are provided utilizing these novel enzymes in catalytic systems for in situ regeneration of NADPH or NADH. Further aspects of the invention relate to the definition and use of crystal structures of these novel enzymes.

  本文提供了新颖的FDH酶，包括新颖的NADPH特异性和NADH特异性FDH酶。此外，提供了利用这些新颖酶在催化系统中进行NADPH或NADH原位再生的方法。本发明的进一步方面涉及这些新颖酶的晶体结构的定义和使用。
• INHIBITORS OF SERINE PROTEASES
  申请人：Cottrell Kevin M.

  公开号：US20110182856A1

  公开（公告）日：2011-07-28

  The present invention relates to compounds of formula (I): or a pharmaceutically acceptable salt thereof. These compounds inhibit serine protease, particularly the hepatitis C virus NS3-NS4A protease.

  本发明涉及式(I)化合物或其药学上可接受的盐。这些化合物抑制丝氨酸蛋白酶，特别是丙型肝炎病毒NS3-NS4A蛋白酶。