N2-乙酰基-DL-天冬氨酰胺 | 16473-76-0

• 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
• 中文名称: N2-乙酰基-DL-天冬氨酰胺
• 中文别名: N2-乙酰基-DL-天冬酰胺
• 英文名称: N-acetylasaparagine
• 英文别名: N²-acetyl-asparagine；N²-Acetyl-asparagin；N-acetyl-asparagine；N-Acetyl-d,l-asparagin；2-Acetamido-4-amino-4-oxobutanoic acid
• CAS: 16473-76-0
• 化学式: C₆H₁₀N₂O₄
• mdl: MFCD00066022
• 分子量: 174.156
• InChiKey: HXFOXFJUNFFYMO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.8
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  110
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 海关编码：
  2924199090

反应信息

• 作为反应物：
  描述：

  N2-乙酰基-DL-天冬氨酰胺 在 porcine kidney acylase I 氢氧化钾 、 potassium phosphate buffer 作用下， 生成 L-天冬酰胺 、 N2-乙酰-D-天冬酰胺
  参考文献：
  名称：

  Kinetic resolution of unnatural and rarely occurring amino acids: enantioselective hydrolysis of N-acyl amino acids catalyzed by acylase I

  摘要：

  DOI：

  10.1021/ja00198a055
• 作为产物：
  描述：

  L-天冬酰胺 、 乙酸酐 在 sodium hydroxide 作用下， 生成 N2-乙酰基-DL-天冬氨酰胺
  参考文献：
  名称：

  Karrer; Schlosser, Helvetica Chimica Acta, 1923, vol. 6, p. 415

  摘要：

  DOI：

文献信息

• Studies on Hepatic Agents. I. Synthesis of Aminoacyl (and Hydroxyacyl) Aminoacetonitriles
  作者：SEIGO SUZUE、TUTOMU IRIKURA

  DOI：10.1248/cpb.16.1417

  日期：——

  For the purpose of elucidating the structural relationship between lathyrism and inhibition of necrosis induced by CCl4 in the liver of the rat, many compounds related to aminoacetonitrile were synthesized. N-Aminoacylaminoacetonitriles (VIII, XIV) were synthesized from phthaloylaminoacylaminoacetonitriles. VIII were converted to 2-hydroxyimino-5-oxopiperazine derivatives (XV) and 5-oxo-2-thio-piperazines (XX). Preparations of N-(N-acylaminoacyl) aminoacetonitriles were also described. Further, N-α-hydroxyacylaminoacetonitriles were prepared from chloralides of α-hydroxyacids with aminoacetonitrile. In addition, XV (R=H) was converted to 2-acetamino-5-acetoxypyrazine by treatment with acetic anhydride.

  为了阐明贻贝症与四氯化碳诱导的大鼠肝脏坏死抑制之间的结构关系，合成了许多与氨基乙腈相关的化合物。N-氨基酰氨基乙腈（VIII，XIV）是从邻苯二甲酰氨基酰氨基乙腈合成的。VIII被转化为2-羟基亚胺-5-氧杂哌嗪衍生物（XV）和5-氧-2-硫杂哌嗪（XX）。还描述了N-(N-酰氨基酰)氨基乙腈的制备。此外，N-α-羟基酰氨基乙腈是由α-羟基酸的氯化物与氨基乙腈反应制备的。此外，通过用醋酸无水物处理，XV（R=H）被转化为2-乙酰氨基-5-乙酰氧基吡唑。
• Substituted Phenylpiperazinyl Aralkylalcohol Derivatives, Pharmaceutical Compositions Containing Such Derivatives and Uses Thereof
  申请人：Li Jianqi

  公开号：US20110294822A1

  公开（公告）日：2011-12-01

  The invention relates to a substituted phenylpiperazine aryl alkanol derivative represented by the following general formula and its salt and hydrate, wherein C 1 and C 2 represent chiral carbon atoms, and the compound is one of the six isomers: (1RS, 2SR), (1RS, 2RS), (1R, 2S), (1S, 2S), (1R, 2R) or (1S, 2R); and R, R 1 , R 2 , R 3 and Ar are as defined in the specification. The derivative is non-opioid analgesic, has good analgesic effect and relatively small side effects. The invention also relates to a composition comprising the derivative and its use.

  该发明涉及一种由以下通用公式表示的取代苯基哌嗪芳基烷醇衍生物及其盐和水合物，其中C1和C2代表手性碳原子，化合物是六种异构体之一：(1RS, 2SR)、(1RS, 2RS)、(1R, 2S)、(1S, 2S)、(1R, 2R)或(1S, 2R)；R、R1、R2、R3和Ar如规范中所定义。该衍生物是一种非阿片类镇痛药，具有良好的镇痛效果和相对较小的副作用。该发明还涉及包含该衍生物及其用途的组合物。
• Heat-stable D-aminoacylase
  申请人：——

  公开号：US20020090713A1

  公开（公告）日：2002-07-11

  The present invention provides a novel D-aminoacylase, as well as method for producing a D-amino acid using the same. In order to achieve the above objective, the present inventors have succeeded in purifying heat-stable D-aminoacylase from microorganisms belonging to the genus Streptomyces by combining various purification methods. Furthermore, the present inventors found that the purified heat-stable D-aminoacylase is useful in industrial production of D-amino acids. By utilizing the heat-stable D-aminoacylase, it is possible to readily and efficiently produce the corresponding D-amino acids from N-acetyl-DL-amino acids (for example, N-acetyl-DL-methionine, N-acetyl-DL-valine, N-acetyl-DL-tryptophan, N-acetyl-DL-phenylalanine, N-acetyl-DL-alanine, N-acetyl-DL-leucine, and so on).

  本发明提供了一种新型的D-氨基酰基酶，以及利用该酶生产D-氨基酸的方法。为了实现上述目标，本发明者通过结合各种纯化方法成功地从属于链霉菌属微生物中纯化出耐热的D-氨基酰基酶。此外，本发明者发现，纯化的耐热D-氨基酰基酶在工业生产D-氨基酸中非常有用。通过利用耐热的D-氨基酰基酶，可以方便且高效地从N-乙酰-DL-氨基酸（例如N-乙酰-DL-蛋氨酸、N-乙酰-DL-缬氨酸、N-乙酰-DL-色氨酸、N-乙酰-DL-苯丙氨酸、N-乙酰-DL-丙氨酸、N-乙酰-DL-亮氨酸等）中轻松高效地生产相应的D-氨基酸。
• D-aminoacylase mutants
  申请人：Daicel Chemical Industries, Ltd.

  公开号：US20040197880A1

  公开（公告）日：2004-10-07

  The present invention provides mutant D-aminoacylases and use thereof. The mutant D-aminoacylases are hard to be inhibited by the substrate and, comprise the amino acid sequences of the D-aminoacylase derived from Alcaligenes denitrificans subsp. xylosoxydans MI-4 strain, wherein amino acid residues at specific sites have been modified. The mutants of the present invention have high reaction specificity as well as resistance to inhibition by the substrate. The present invention enables high-yield production of D-amino acids using higher concentrations of N-acyl-DL-amino acid as the substrate. The mutants of the present invention are useful in producing D-tryptophan in particular.

  本发明提供了突变的D-氨酰酶及其应用。这些突变的D-氨酰酶不容易被底物抑制，并且包括源自Alcaligenes denitrificans subsp. xylosoxydans MI-4菌株的D-氨酰酶的氨基酸序列，其中特定位点的氨基酸残基已经被修改。本发明的突变体具有高反应特异性以及对底物抑制的抵抗能力。本发明实现了利用更高浓度的N-酰-DL-氨基酸作为底物高产D-氨基酸。本发明的突变体在特别用于生产D-色氨酸方面具有用途。
• 2-(2-HYDROXYBIPHENYL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE DERIVATIVES AS FACTOR VIIA INHIBITORS
  申请人：Kolesnikov Aleksandr

  公开号：US20110269806A1

  公开（公告）日：2011-11-03

  The present invention relates to novel inhibitors of Factors VIIa, IXa, Xa, XIa, in particular Factor VIIa, pharmaceutical compositions comprising these inhibitors, and methods for using these inhibitors for treating or preventing thromboembolic disorders, cancer or rheumatoid arthritis. Processes for preparing these inhibitors are also disclosed.

  本发明涉及新型因子VIIa、IXa、Xa、XIa抑制剂，特别是因子VIIa，以及包含这些抑制剂的制药组合物，以及使用这些抑制剂治疗或预防血栓栓塞性疾病、癌症或类风湿性关节炎的方法。本发明还公开了制备这些抑制剂的过程。