N-T-丁基甘氨酸 钠盐 | 58482-93-2

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - 甘氨酸类衍生物
• 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-T-丁基甘氨酸 钠盐
• 中文别名: N-T-丁基甘氨酸钠盐；N-叔丁基甘氨酸
• 英文名称: tert-butylaminoacetic acid
• 英文别名: N-tert.-Butylglycin；2-(Tert-butylazaniumyl)acetate
• CAS: 58482-93-2
• 化学式: C₆H₁₃NO₂
• mdl: MFCD01318413
• 分子量: 131.175
• InChiKey: TXHAHOVNFDVCCC-UHFFFAOYSA-N

物化性质

• 沸点：
  206.9±23.0 °C(Predicted)
• 密度：
  1.000±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.9
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2922499990

反应信息

• 作为反应物：
  描述：

  N-T-丁基甘氨酸 钠盐 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 生成 N-(tert-butoxycarbonyl)-N'-(3,4-dichlorophenyl)-N''-(1-tert-butyl-4-oxo-4,5-dihydro-1H-imidazol-2-yl)guanidine
  参考文献：
  名称：

  Synthesis and Antimalarial Activity of 2-Guanidino-4-oxoimidazoline Derivatives

  摘要：

  A series of 2-guanidino-4-oxoimidazoline (deoxo-IZ) derivatives was prepared and showed potent antimalarial activities in rodent and Rhesus models. Compound 8e, the most potent analogues of this series, is the first non-8-aminoqinoline antimalarial that demonstrated radical curative activity in non-human primate by Cl oral route and showed causal prophylactic activity comparable to that of the commonly used clinical drugs in Rhesus monkeys infected with sporozoites of Plasmodium cynomolgi. The metabolic stability and metabolites profile indicated that the new deoxo-IZ derivatives (8) may act as prodrugs of the corresponding IZ (1 and 2) derivatives.

  DOI：

  10.1021/jm200111g
• 作为产物：
  描述：

  N-叔丁基乙酰胺 生成 N-T-丁基甘氨酸 钠盐
  参考文献：
  名称：

  REACTIONS OF AMINES. IX. THE REARRANGEMENT OF N-t-BUTYL-N-CHLOROAMIDES^1-2

  摘要：

  DOI：

  10.1021/ja01482a041
• 作为试剂：
  描述：

  环戊基-N-琥珀酰亚胺基碳酸酯 以 N-T-丁基甘氨酸 钠盐 、 碳酸氢钠 、 丙酮 为溶剂， 生成 (S)-2-环戊基氧基羰基氨基-3,3-二甲基丁酸
  参考文献：
  名称：

  Inhibitors of Serine Proteases

  摘要：

  本发明涉及抑制丝氨酸蛋白酶活性的化合物，特别是针对丙型肝炎病毒NS3-NS4A蛋白酶的活性。这些化合物通过干扰丙型肝炎病毒的生命周期来发挥作用，并且也可用作抗病毒剂。本发明还涉及包含这些化合物的组合物，无论是用于体外使用还是用于治疗患有HCV感染的患者。本发明还涉及通过给患者注射包含本发明化合物的组合物来治疗HCV感染的方法。

  公开号：

  US20100272681A1

文献信息

• Small molecules for treatment of hypercholesterolemia and related diseases
  申请人：Sircar C. Jagadish

  公开号：US20050277690A1

  公开（公告）日：2005-12-15

  The present invention provides compositions adapted to enhance reverse cholesterol transport in mammals. The compositions are suitable for oral delivery and useful in the treatment and/or prevention of hypercholesterolemia, atherosclerosis and associated cardiovascular diseases.

  本发明提供了适用于增强哺乳动物体内逆向胆固醇转运的组合物。这些组合物适合口服给药，并可用于治疗和/或预防高胆固醇血症、动脉粥样硬化及相关心血管疾病。
• CHIMERIC MELANOCORTIN LIGANDS AND METHODS OF USE THEREOF
  申请人：REGENTS OF THE UNIVERSITY OF MINNESOTA

  公开号：US20180118789A1

  公开（公告）日：2018-05-03

  The invention provides compounds having the general formula I: and salts thereof, wherein the variables Pro, DPro, DPhe, Arg, Trp, X 1 , X 2 , X 3 and X 4 have the meaning as described herein, and compositions containing such compounds and methods for using such compounds and compositions.

  这项发明提供了具有一般式I的化合物及其盐，其中变量Pro、DPro、DPhe、Arg、Trp、X1、X2、X3和X4的含义如本文所述，并包含这种化合物的组合物以及使用这种化合物和组合物的方法。
• [EN] PERFLUORO-TERT-BUTYL HYDROXYPROLINE<br/>[FR] PERFLUORO-TERT-BUTYLE HYDROXYPROLINE
  申请人：ZONDLO NEAL

  公开号：WO2014127052A1

  公开（公告）日：2014-08-21

  The present invention provides novel analogues of alpha amino acids, comprising a perfluoro-tert-butyl group, and molecules comprising the novel analogues. Also provided are a wide range of applications of the novel analogues in therapeutics, theranostics and pharmaceuticals as well as in imaging applications. In particular, the use of the novel analogues in detecting or modifying a target molecule is provided.

  本发明提供了新型α氨基酸的类似物，包括全氟叔丁基基团，以及包含这些新型类似物的分子。还提供了这些新型类似物在治疗学、治疗诊断学、制药学以及成像应用中的广泛应用。特别提供了在检测或修改靶分子中使用这些新型类似物的方法。
• BRM TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE
  申请人：Arvinas Operations, Inc.

  公开号：US20190300521A1

  公开（公告）日：2019-10-03

  The present disclosure relates to bifunctional compounds, which find utility as modulators of SMARCA2 or BRM (target protein). In particular, the present disclosure is directed to bifunctional compounds, which contain on one end a ligand that binds to the Von Hippel-Lindau E3 ubiquitin ligase, and on the other end a moiety which binds the target protein, such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of target protein. The present disclosure exhibits a broad range of pharmacological activities associated with degradation/inhibition of target protein. Diseases or disorders that result from aggregation or accumulation of the target protein are treated or prevented with compounds and compositions of the present disclosure.

  本公开涉及双功能化合物，其作为SMARCA2或BRM（靶蛋白）的调节剂具有实用性。具体而言，本公开涉及包含一端结合Von Hippel-Lindau E3泛素连接酶的配体，另一端结合靶蛋白的双功能化合物，使得靶蛋白与泛素连接酶靠近以实现靶蛋白的降解（和抑制）。本公开展示了与靶蛋白降解/抑制相关的广泛药理活性。本公开的化合物和组合物用于治疗或预防由靶蛋白聚集或积累导致的疾病或紊乱。
• [EN] COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF BROMODOMAIN-CONTAINING PROTEINS<br/>[FR] COMPOSÉS ET PROCÉDÉS POUR LA DÉGRADATION CIBLÉE DE PROTÉINES CONTENANT UN BROMODOMAINE
  申请人：ARVINAS INC

  公开号：WO2017030814A1

  公开（公告）日：2017-02-23

  The present invention relates to bifunctional compounds, which find utility as modulators of targeted ubiquitination, especially inhibitors of a variety of polypeptides and other proteins which are degraded and/or otherwise inhibited by bifunctional compounds according to the present invention. In particular, the present invention is directed to compounds, which contain on one end a VHL ligand which binds to the ubiquitin ligase and on the other end a moiety which binds a target protein such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of that protein. The present invention exhibits a broad range of pharmacological activities associated with compounds according to the present invention, consistent with the degradation/inhibition of targeted polypeptides.

  本发明涉及双功能化合物，其作为靶向泛素化的调节剂具有实用性，特别是根据本发明抑制各种多肽和其他蛋白质的化合物。具体而言，本发明涉及一端含有结合泛素连接酶的VHL配体，另一端含有结合靶蛋白的基团的化合物，使得靶蛋白靠近泛素连接酶以促使该蛋白的降解（和抑制）。根据本发明的化合物表现出与靶向多肽的降解/抑制一致的广泛的药理活性。