(S)-2-((S)-2-Amino-4-tert-butoxycarbonyl-butyrylamino)-pentanedioic acid di-tert-butyl ester | 69984-05-0

• 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
• 英文名称: (S)-2-((S)-2-Amino-4-tert-butoxycarbonyl-butyrylamino)-pentanedioic acid di-tert-butyl ester
• 英文别名: ditert-butyl (2S)-2-[[(2S)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]pentanedioate
• CAS: 69984-05-0
• 化学式: C₂₂H₄₀N₂O₇
• 分子量: 444.569
• InChiKey: ZLBVZXYNBVASOO-GJZGRUSLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  31
• 可旋转键数：
  15
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  134
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  (S)-2-((S)-2-Amino-4-tert-butoxycarbonyl-butyrylamino)-pentanedioic acid di-tert-butyl ester 在 1-羟基苯并三唑 、 N,N-二异丙基乙胺 、 N,N'-二环己基碳二亚胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 (S)-2-((S)-2-{(S)-4-{(S)-1,3-Bis-[(S)-3-carboxy-1-((S)-1,3-dicarboxy-propylcarbamoyl)-propylcarbamoyl]-propylcarbamoyl}-4-[6-(2,4-dinitro-phenylamino)-hexanoylamino]-butyrylamino}-4-carboxy-butyrylamino)-pentanedioic acid
  参考文献：
  名称：

  Determination of the Binding of Ligands Containing the N-2,4-dinitrophenyl Group to Bivalent Monoclonal Rat Anti-DNP Antibody Using Affinity Capillary Electrophoresis

  摘要：

  Affinity capillary electrophoresis has been used to determine the two dissociation constants of the complex between anti-DNP rat monoclonal IgG(2b) antibody and charged ligands that contained a N-dinitrophenyl group. Singly and multiply charged ligands were used to establish the influence of the charge on the mobility of the complex between Ig and its ligand(s). Zwitterionic buffer additives lessened adsorption of protein to the walls of the capillary. A form of analysis of the binding data is derived that is more useful than Scatchard analysis for certain multivalent systems where cooperativity of binding is in question, but where it is also possible to make plausible assumptions about electrophoretic mobilities of protein and protein-ligand complexes. The uncertainties and assumptions of this analysis are contrasted with those of Scatchard analysis. For this antibody and these monovalent ligands, the dissociation of the ligands from the antibody occurred noncooperatively. The charge on IgG(2b) at pH 8.3 is estimated to be -8.0 +/- 0.2; this value is obtained by analysis of the electrophoretic mobilities of complexes IgG(2b)L(2), where the ligands L are structurally similar but have different charges (the charges on the ligands were also determined by CE).

  DOI：

  10.1021/ac00115a023
• 作为产物：
  描述：

  di-tert-butyl ((S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-5-(tert-butoxy)-5-oxopentanoyl)-L-glutamate 在 吗啉 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以8.7 g的产率得到(S)-2-((S)-2-Amino-4-tert-butoxycarbonyl-butyrylamino)-pentanedioic acid di-tert-butyl ester
  参考文献：
  名称：

  [EN] POLYETHYLENE GLYCOL-DRUG CONJUGATE AND USE THEREOF
  [FR] CONJUGUÉ POLYÉTHYLÈNE GLYCOL-MÉDICAMENT ET UTILISATION ASSOCIÉE
  [ZH] 聚乙二醇偶联药物及其用途

  摘要：

  一种聚乙二醇偶联药物及其用途，具体涉及式A所示的聚乙二醇偶联药物、其立体异构体或其药学上可接受的盐，用于制备所述聚乙二醇偶联药物、其立体异构体或其药学上可接受的盐的中间体，包含所述聚乙二醇偶联药物、其立体异构体或其药学上可接受的盐的药物组合物，以及所述聚乙二醇偶联药物、其立体异构体或其药学上可接受的盐在制备药物中的用途。

  公开号：

  WO2022242488A1

文献信息

• [EN] PROCESSES OF PREPARING POLYGLUTAMATED ANTIFOLATES AND USES OF THEIR COMPOSITIONS<br/>[FR] PROCÉDÉS DE PRÉPARATION D'ANTIFOLATES POLYGLUTAMIQUES ET LEURS UTILISATIONS
  申请人：L E A F HOLDINGS GROUP LLC

  公开号：WO2021026310A1

  公开（公告）日：2021-02-11

  Provided herein are methods of preparing polyglutamated compounds, such as polyglutamated antifolates, and/or pharmaceutical compositions such as liposomal compositions comprising the same, Also provided herein are substantially pure polyglutamated compounds, or a pharmaceutically acceptable salt thereof, or a pharmaceutical composition such as liposomal composition comprising the same. The present disclosure further provides methods of using the polyglutamated compounds and compositions to treat diseases including hyperproliferative diseases such as cancer, disorders of the immune system such as rheumatoid arthritis, and infectious diseases such as HIV, malaria, and schistomiasis.

  本文提供了制备多聚谷氨酸化合物的方法，例如多聚谷氨酸化抗叶酸类化合物，以及包含这些化合物的药物组合物，还提供了基本纯净的多聚谷氨酸化合物，或其药用可接受盐，或包含这些化合物的药物组合物。本公开还提供了使用多聚谷氨酸化合物和组合物治疗疾病的方法，包括高增殖性疾病如癌症，免疫系统紊乱如类风湿性关节炎，以及传染病如艾滋病、疟疾和血吸虫病。
• [EN] POLYETHYLENE GLYCOL-DRUG CONJUGATE AND USE THEREOF<br/>[FR] CONJUGUÉ POLYÉTHYLÈNE GLYCOL-MÉDICAMENT ET UTILISATION ASSOCIÉE<br/>[ZH] 聚乙二醇偶联药物及其用途
  申请人：CHONGQING UPGRA BIOTECHNOLOGY CO LTD

  公开号：WO2022242488A1

  公开（公告）日：2022-11-24

  一种聚乙二醇偶联药物及其用途，具体涉及式A所示的聚乙二醇偶联药物、其立体异构体或其药学上可接受的盐，用于制备所述聚乙二醇偶联药物、其立体异构体或其药学上可接受的盐的中间体，包含所述聚乙二醇偶联药物、其立体异构体或其药学上可接受的盐的药物组合物，以及所述聚乙二醇偶联药物、其立体异构体或其药学上可接受的盐在制备药物中的用途。
• New enzymes and prodrugs for ADEPT
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：EP0728018B1

  公开（公告）日：2003-08-06
• PAWELCZAK, KRZYSZTOF;JONES, TERENCE R.;KEMPNY, MICHAL;JACKMAN, ANN L.;NEW+, J. MED. CHEM., 32,(1989) N, C. 160-165
  作者：PAWELCZAK, KRZYSZTOF、JONES, TERENCE R.、KEMPNY, MICHAL、JACKMAN, ANN L.、NEW+

  DOI：——

  日期：——
• THERAPY
  申请人：THE WELLCOME FOUNDATION LIMITED

  公开号：EP0728018A1

  公开（公告）日：1996-08-28