benzyl N-{(2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoyl}-L-tryptophanate trifluoroacetate | 1369426-94-7

• 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: benzyl N-{(2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoyl}-L-tryptophanate trifluoroacetate
• 英文别名: benzyl (2S)-3-(1H-indol-3-yl)-2-[[(2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoyl]amino]propanoate;2,2,2-trifluoroacetic acid
• CAS: 1369426-94-7
• 化学式: C₂HF₃O₂*C₂₇H₃₃N₃O₄
• 分子量: 577.601
• InChiKey: DRJCWHBIBCASCB-OZEAJHRFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.98
• 重原子数：
  41
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  130
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  benzyl N-{(2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoyl}-L-tryptophanate trifluoroacetate 、 N-(tert-butoxycarbonyl)-N-methyl-L-valyl-N-[(2R,3S,4S)-1-carboxy-2-methoxy-4-methylhexan-3-yl]-N-methyl-L-valinamide 在 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 以80%的产率得到N-(tert-butoxycarbonyl)-N-methyl-L-valyl-N-[(2R,3S,4S)-1-carboxy-2-methoxy-4-methylhexan-3-yl]-N-methyl-L-valinamide
  参考文献：
  名称：

  NOVEL BINDER-DRUG CONJUGATES (ADCs) AND USE OF SAME

  摘要：

  本专利申请涉及针对靶向表皮生长因子受体（EGFR，基因ID 1956）的新型结合物-药物共轭物（ADCs）N，N-二烷基月桂酰基蛋白酶抑制剂，这些ADCs的有效代谢物，生产这些ADCs的方法，利用这些ADCs治疗和/或预防疾病，以及利用这些ADCs生产用于治疗和/或预防疾病的药物，特别是治疗高增殖和/或血管生成性疾病，如癌症。这种治疗可以作为单药疗法或与其他药物或其他治疗措施联合使用。

  公开号：

  US20150246136A1
• 作为产物：
  描述：

  tert-butyl (3R,4S,5S)-4-[(2S)-2-[[(benzyloxy)carbonyl]amino]-N,3-dimethylbutanamido]-3-methoxy-5-methylheptanoate 生成 benzyl N-{(2R,3R)-3-methoxy-2-methyl-3-[(2S)-pyrrolidin-2-yl]propanoyl}-L-tryptophanate trifluoroacetate
  参考文献：
  名称：

  Novel Binder-Drug Conjugates (ADCs) and Use of Same

  摘要：

  本专利申请涉及针对表皮生长因子受体（EGFR，基因ID 1956）的新型结合物-药物共轭物（ADCs）N，N-二烷基月桂酰基蛋白酶抑制剂，这些ADCs的有效代谢物，生产这些ADCs的方法，利用这些ADCs治疗和/或预防疾病以及利用这些ADCs生产用于治疗和/或预防疾病的药物，特别是治疗高增殖和/或血管生成性疾病，如癌症。这种治疗可以作为单药疗法或与其他药物或其他治疗措施联合使用。

  公开号：

  US20140127240A1

文献信息

• NEW ANTIBODY DRUG CONJUGATES (ADCS) AND THE USE THEREOF
  申请人：SEATTLE GENETICS, INC.

  公开号：US20150023989A1

  公开（公告）日：2015-01-22

  The present application relates to new antibody drug conjugates (ADCs) of N,N dialkylauristatins directed against the target FGFR2, drug metabolites of said ADCs, a method for producing said ADCs, the use of said ADCs for the treatment and/or prevention of illnesses as well as the use of said ADCs for producing pharmaceuticals for the treatment and/or prevention of illnesses, particularly of hyperproliferative and/or angiogenic diseases such as carcinosis. Such treatments can be carried out as monotherapy or in combination with other pharmaceuticals or additional therapeutic measures.

  本申请涉及针对FGFR2靶点的新抗体药物结合物（ADCs），所述ADCs的药物代谢产物，生产所述ADCs的方法，利用所述ADCs治疗和/或预防疾病以及利用所述ADCs生产用于治疗和/或预防疾病的药物，特别是治疗高增殖和/或血管生成性疾病如癌症。这种治疗可以作为单药疗法进行，也可以与其他药物或额外的治疗措施结合使用。
• NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF
  申请人：Lerchen Hans-Georg

  公开号：US20130066055A1

  公开（公告）日：2013-03-14

  The present application relates to new binder-drug conjugates (ADCs) of N,N-dialkylauristatins that are directed against the target C4.4a, to active metabolites of these ADCs, to processes for preparing these ADCs, to the use of these ADCs for treating and/or preventing illnesses, and also to the use of these ADCs for producing medicaments for treating and/or preventing illnesses, more particularly hyperproliferative and/or angiogenic diseases such as, for example, cancer diseases. Such treatments may be practised as a monotherapy or else in combination with other medicaments or further therapeutic measures.

  本申请涉及针对C4.4a靶点的新结合物-药物共轭物（ADCs），以及这些ADCs的活性代谢物，制备这些ADCs的方法，使用这些ADCs治疗和/或预防疾病，以及使用这些ADCs生产治疗和/或预防疾病的药物，更具体地说是治疗和/或预防高增殖和/或血管生成性疾病，例如癌症等。这种治疗可以作为单独治疗，也可以与其他药物或进一步的治疗措施结合使用。
• N-CARBOXYALKYL-AURISTATIN AND THE USE THEREOF
  申请人：Lerchen Hans-Georg

  公开号：US20130261064A1

  公开（公告）日：2013-10-03

  The present application relates to new derivatives of monomethylauristatin F, substituted on the N terminus by a carboxyalkyl group, processes for preparing these derivatives, their use for the treatment and/or prevention of diseases and to produce medication for the treatment and/or prevention of diseases, particularly hyperproliferative and/or angiogenic disorders such as cancer disorders, for example. Such treatments can occur as monotherapies or in combination with other medication or further therapeutic measures.

  本申请涉及一种新型单甲基金霉素F衍生物，其在N末端被羧基烷基取代，制备这些衍生物的方法，以及它们用于治疗和/或预防疾病并生产用于治疗和/或预防疾病的药物，特别是治疗和/或预防增生和/或血管生成异常疾病，例如癌症疾病。这样的治疗可以作为单一疗法或与其他药物或进一步治疗措施结合使用。
• NOVEL BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF
  申请人：SEATTLE GENETICS, INC.

  公开号：US20150030618A1

  公开（公告）日：2015-01-29

  The present application relates to new binder-drug conjugates (ADCs) of N,N-dialkylauristatins that are directed against the target C4.4a, to active metabolites of these ADCs, to processes for preparing these ADCs, to the use of these ADCs for treating and/or preventing illnesses, and also to the use of these ADCs for producing medicaments for treating and/or preventing illnesses, more particularly hyperproliferative and/or angiogenic diseases such as, for example, cancer diseases. Such treatments may be practised as a monotherapy or else in combination with other medicaments or further therapeutic measures.

  本申请涉及针对C4.4a靶点的新型N，N-二烷基月桂酰基链霉素结合物（ADCs），这些ADCs的活性代谢物，制备这些ADCs的方法，使用这些ADCs治疗和/或预防疾病，以及使用这些ADCs制造治疗和/或预防疾病的药物，特别是治疗和/或预防过度增殖和/或血管生成性疾病，例如癌症。这样的治疗可以作为单一疗法或与其他药物或进一步治疗措施结合使用。
• New binder-drug conjugates (ADCs) and use thereof
  申请人：Bayer Pharma AG

  公开号：US20130095123A1

  公开（公告）日：2013-04-18

  The present application relates to new binder-drug conjugates (ADCs) of N,N-dialkylauristatins that are directed against the target C4.4a, to active metabolites of these ADCs, to processes for preparing these ADCs, to the use of these ADCs for treating and/or preventing illnesses, and also to the use of these ADCs for producing medicaments for treating and/or preventing illnesses, more particularly hyperproliferative and/or angiogenic diseases such as, for example, cancer diseases. Such treatments may be practised as a monotherapy or else in combination with other medicaments or further therapeutic measures.

  本申请涉及新的结合剂-药物共轭物（ADCs），其为N，N-二烷基月桂酰基蛋白酶抑制剂，针对C4.4a靶标，以及这些ADCs的活性代谢物，制备这些ADCs的方法，使用这些ADCs治疗和/或预防疾病，以及使用这些ADCs制备治疗和/或预防疾病的药物，更具体地说是治疗和/或预防增生和/或血管生成性疾病，例如癌症。这种治疗可以作为单一疗法，也可以与其他药物或进一步的治疗措施结合使用。