Py-MAA-Val-Cit-PAB-MMAE | 2247398-68-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 肽模拟物
• 英文名称: Py-MAA-Val-Cit-PAB-MMAE
• 英文别名: [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[[2-[3-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]-3-oxopropyl]sulfanylacetyl]amino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate
• CAS: 2247398-68-9
• 化学式: C₇₂H₁₁₁N₁₃O₁₆S
• 分子量: 1446.8
• InChiKey: ASDXMJBJAKMFHO-NGASZDMPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  102
• 可旋转键数：
  40
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  396
• 氢给体数：
  8
• 氢受体数：
  17

文献信息

• PROCESS FOR PREPARING INTERMEDIATE OF ANTIBODY DRUG CONJUGATE
  申请人：REMEGEN, LTD.

  公开号：US20200138968A1

  公开（公告）日：2020-05-07

  The present disclosure relates to a process for preparing an intermediate of antibody-drug conjugate. Compared with the conventional art, the process for preparing an intermediate of the antibody-drug conjugate provided by the present disclosure significantly reduces the feed loss for drug moiety, such as MMAD/MMAE or MMAF, etc., as drug moiety is involved in the last step of the reaction, thereby effectively reducing production costs, as well as increasing production efficiency. In addition, the process provided by the present disclosure is simple, environmentally friendly and suitable for large-scale industrialization.

  本公开涉及一种用于制备抗体-药物偶联物的中间体的方法。与现有技术相比，本公开提供的用于制备抗体-药物偶联物中间体的方法显著减少了药物部分的投料损失，例如MMAD/MMAE或MMAF等，因为药物部分参与反应的最后一步，从而有效降低生产成本，同时提高生产效率。另外，本公开提供的方法简单、环保，适合大规模工业化。
• ONE-POT PROCESS FOR PREPARING INTERMEDIATE OF ANTIBODY-DRUG CONJUGATE
  申请人：MABPLEX INTERNATIONAL, LTD.

  公开号：US20210085799A1

  公开（公告）日：2021-03-25

  The present invention relates to a “one-pot process” for preparing intermediate of antibody-drug conjugate. The preparation process provided by the present invention is simple in operation, and needs no such steps like concentration, washing and filtration of the intermediate reaction liquid, disposal of the organic waste liquid, and packaging and storage of the intermediate. The entire reaction system comprises only one separation and purification treatment, saving costs for labor, equipment, venues, raw materials, etc., and greatly reducing the pollution to the environment. In addition, the “one-pot process” for preparing intermediate of antibody-drug conjugate of the present invention produces the intermediate of antibody-drug conjugate with higher yield. The “one-pot process” for preparing intermediate of antibody-drug conjugate provided by the present invention is more suitable for scale-up production.

  本发明涉及一种用于制备抗体药物偶联物中间体的“一锅法”工艺。本发明提供的制备工艺操作简单，无需对中间体反应液进行浓缩、洗涤和过滤，处理有机废液，以及中间体的包装和储存等步骤。整个反应体系仅包含一次分离和纯化处理，节省了人力、设备、场地、原材料等成本，极大地减少了对环境的污染。另外，本发明的抗体药物偶联物中间体的“一锅法”工艺能够以更高的收率产生抗体药物偶联物中间体。本发明提供的抗体药物偶联物中间体的“一锅法”工艺更适合放大生产。
• ONE-POT PREPARATION PROCESS FOR ANTIBODY DRUG CONJUGATE INTERMEDIATE
  申请人：Mabplex International, Ltd.

  公开号：EP3760233A1

  公开（公告）日：2021-01-06

  The present invention relates to a "one-pot process" for preparing intermediate of antibody-drug conjugate. The preparation process provided by the present invention is simple in operation, and needs no such steps like concentration, washing and filtration of the intermediate reaction liquid, disposal of the organic waste liquid, and packaging and storage of the intermediate. The entire reaction system comprises only one separation and purification treatment, saving costs for labor, equipment, venues, raw materials, etc., and greatly reducing the pollution to the environment. In addition, the "one-pot process" for preparing intermediate of antibody-drug conjugate of the present invention produces the intermediate of antibody-drug conjugate with higher yield. The "one-pot process" for preparing intermediate of antibody-drug conjugate provided by the present invention is more suitable for scale-up production.

  本发明涉及一种制备抗体药物共轭物中间体的 "一锅法"。本发明提供的制备工艺操作简单，无需中间体反应液的浓缩、洗涤、过滤，有机废液的处理，中间体的包装和储存等步骤。整个反应系统只需一次分离提纯处理，节省了人工、设备、场地、原料等成本，大大减少了对环境的污染。此外，本发明制备抗体药物共轭物中间体的 "一锅法 "生产的抗体药物共轭物中间体收率更高。本发明提供的制备抗体药物共轭物中间体的 "一锅法 "更适合规模化生产。
• [EN] ONE-POT PREPARATION PROCESS FOR ANTIBODY DRUG CONJUGATE INTERMEDIATE<br/>[FR] PROCÉDÉ DE PRÉPARATION MONOTOPE D'UN INTERMÉDIAIRE CONJUGUÉ DE MÉDICAMENT- ANTICORPS<br/>[ZH] 一种抗体药物偶联物中间体的一锅法制备工艺
  申请人：MABPLEX INT LTD

  公开号：WO2020233174A1

  公开（公告）日：2020-11-26

  一种"一锅法"制备抗体药物偶联物中间体的方法，制备工艺是将Py-MAA-Val-Cit-PAB-OH或MC-Val-Cit-PAB-OH与二(对硝基苯)碳酸酯在有机碱存在的条件下接触反应，待反应结束后，向反应体系中补充加入有机碱，1-羟基苯并三唑和药物部分D进行反应即得。整个反应体系仅进行一次分离纯化处理，无需进行中间反应液的浓缩、洗涤、有机废液的处理以及中间体的包装贮存等步骤，且具有更高的收率。