diethyl 2-acetamido-2-(4-aminobenzyl)malonate | 6335-21-3

• 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: diethyl 2-acetamido-2-(4-aminobenzyl)malonate
• 英文别名: acetylamino-(4-amino-benzyl)-malonic acid diethyl ester；Acetylamino-(4-amino-benzyl)-malonsaeure-diaethylester；diethyl 4-aminobenzylacetamidomalonate；diethyl-4-aminobenzylacetamidomalonate；Diethyl(acetylamino)(4-aminobenzyl)propanedioate；diethyl 2-acetamido-2-[(4-aminophenyl)methyl]propanedioate
• CAS: 6335-21-3
• 化学式: C₁₆H₂₂N₂O₅
• 分子量: 322.361
• InChiKey: OFJJAGIFUBPJCC-UHFFFAOYSA-N

物化性质

• 熔点：
  133 °C(Solv: ethanol, 30% (64-17-5))
• 沸点：
  504.1±50.0 °C(Predicted)
• 密度：
  1.195±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  23
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  108
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  diethyl 2-acetamido-2-(4-aminobenzyl)malonate 在 盐酸 、 sodium hydroxide 、 溶剂黄146 、 乙腈 、 sodium nitrite 作用下， 反应 8.67h， 生成 ethyl 2-acetamido-3-(4-methylselanylphenyl)propanoate
  参考文献：
  名称：

  Unsymmetrical selenides from selenocyanates and methyl grignard

  摘要：

  DOI：

  10.1016/s0040-4039(01)91027-5
• 作为产物：
  描述：

  1-(氯甲基)-4-硝基苯 在 乙醇 、 铂 作用下， 生成 diethyl 2-acetamido-2-(4-aminobenzyl)malonate
  参考文献：
  名称：

  Synthesis of Phenylalanine Analogs as Antimetabolites

  摘要：

  DOI：

  10.1021/ja01145a022

文献信息

• Streptogramins for preparing same by mutasynthesis
  申请人：Aventis Pharma S.A.

  公开号：US06352839B1

  公开（公告）日：2002-03-05

  The invention provides a method for preparing streptogramins using genetically-modified microorganisms to influence the biosynthesis of at least one of the precursors of the group B streptogramins. Cultures of the genetically-modified microorganisms are supplemented with a least one precursor that is different from the streptogramin precursor whose biosynthesis is altered and the streptogramins produced are recovered.

  该发明提供了一种利用基因改造微生物制备链霉素的方法，以影响B组链霉素的至少一个前体的生物合成。将基因改造微生物的培养物添加至至少一个与被改变的链霉素前体不同的前体，并回收生成的链霉素。
• S‐Click Reaction for Isotropic Orientation of Oxidases on Electrodes to Promote Electron Transfer at Low Potentials
  作者：Lin Xia、Ming‐Jie Han、Lu Zhou、Aiping Huang、Zhaoya Yang、Tianyuan Wang、Fahui Li、Lu Yu、Changlin Tian、Zhongsheng Zang、Qing‐Zheng Yang、Chenli Liu、Wenxu Hong、Yi Lu、Lital Alfonta、Jiangyun Wang

  DOI：10.1002/anie.201909203

  日期：2019.11.11

  efficient electron transfer route between redox enzymes and electrodes is key for converting enzyme-catalyzed reactions into electrochemical signals, and for the development of robust, sensitive, and selective biosensors. We demonstrate that the site-specific incorporation of a novel synthetic amino acid (2-amino-3-(4-mercaptophenyl)propanoic acid) into redox enzymes, followed by an S-click reaction to wire

  电化学传感器对于即时检验（POCT）和可穿戴传感设备必不可少。在氧化还原酶和电极之间建立有效的电子转移途径，对于将酶催化的反应转化为电化学信号，以及开发坚固，灵敏和选择性的生物传感器至关重要。我们证明了一种新型合成氨基酸（2-氨基-3-（4-巯基苯基）丙酸）在氧化还原酶中的位点特异性掺入，然后通过S-点击反应将酶连接到电极上，促进了电子的产生。转移。制成的生物传感器演示了血液和汗液样本中色氨酸（Trp）的实时和选择性监测，线性范围为0.02-0.8 mm。
• Novel anti-hypertensive compositions
  申请人：Merck & Co., Inc.

  公开号：US04051251A1

  公开（公告）日：1977-09-27

  Novel pharmaceutical compositions comprising hydrazino-phenylpropionic acid decarboxylase inhibitors and certain benzimidazole and benzoxazole alanines are disclosed. The compositions have enhanced hypotensive activity.

  揭示了包含肼基苯丙酸脱羧酶抑制剂和某些苯并咪唑和苯并噁唑丙氨酸的新型药物组合物。这些组合物具有增强的降压活性。
• 3-(2-Substitutedbenzimidazolyl) alanines
  申请人：Merck & Co., Inc.

  公开号：US04073929A1

  公开（公告）日：1978-02-14

  Benzimidazol-5(6)-yl alanine derivatives useful as antihypertensive agents are disclosed as well as methods for their preparation.

  本发明揭示了苯并咪唑-5（6）-基丙氨酸衍生物，用作降压剂，并揭示了它们的制备方法。
• Synthesis and Evaluation of Serinolamide Derivatives as Sphingosine-1-Phosphate-1 (S1P1) Receptor Agonists
  作者：Sun Jun Park、Jushin Kim、Jaehwan Kim、Yoowon Kim、Elijah Hwejin Lee、Hyeon Jeong Kim、Siwon Kim、Byungeun Kim、Rium Kim、Ji Won Choi、Jong-Hyun Park、Ki Duk Park

  DOI：10.3390/molecules27092818

  日期：——

  Sphingosine-1-phosphate-1 (S1P1) receptor agonists are well-known drugs for treating multiple sclerosis (MS) caused by autoreactive lymphocytes that attack the myelin sheath. Therefore, an effective therapeutic strategy is to reduce the lymphocytes in the blood by inducing S1P1 receptor internalization. We synthesized serinolamide A, a natural product of the sea, and performed S1P1 receptor internalization assay to evaluate functionally antagonistic S1P1 receptor agonist activity. In order to synthesize derivatives with better efficacy than serinolamide A and B, new derivatives were synthesized by introducing the phenyl ring moiety of fingolimod. Among them, compounds 19 and 21 had superior S1P1 agonistic effects to serinolamide. We also confirmed that compound 19 effectively inhibited lymphocyte outflow in peripheral lymphocyte count (PLC) assay.

  Sphingosine-1-phosphate-1 (S1P1) 受体激动剂是治疗由自身免疫淋巴细胞攻击髓鞘引起的多发性硬化症（MS）的常用药物。因此，一种有效的治疗策略是通过诱导 S1P1 受体内化来减少血液中的淋巴细胞。我们合成了海洋天然产物丝氨酰胺A，并进行了 S1P1 受体内化试验，评估其功能上的拮抗 S1P1 受体激动剂活性。为了合成比丝氨酰胺A和B更有效的衍生物，我们通过引入芬格莫德的苯环基团，合成了新的衍生物。其中，化合物19和21具有比丝氨酰胺更优异的S1P1激动作用。我们还确认，化合物19有效地抑制了外周淋巴细胞计数（PLC）试验中的淋巴细胞外流。