[4-[[(2S)-2-[[(2S)-2-(tert-butylamino)-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate

• 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: [4-[[(2S)-2-[[(2S)-2-(tert-butylamino)-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoyl]amino]phenyl]methyl 2,2-dimethylpropanoate
• 化学式: C₂₇H₄₅N₅O₅
• 分子量: 519.7
• InChiKey: KQBQSDUECYFBBH-SFTDATJTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  37
• 可旋转键数：
  15
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.63
• 拓扑面积：
  152
• 氢给体数：
  5
• 氢受体数：
  6

文献信息

• Cytotoxic agents and conjugates thereof
  申请人：POLYTHERICS LIMITED

  公开号：US10654873B2

  公开（公告）日：2020-05-19

  Provided herein are novel maytansinoid compounds of general formula I. Also provided herein are conjugates comprising the compounds linked to a binding protein via a linker, and conjugating reagents comprising the compounds attached via a linker to at least one functional group capable of reacting with a binding protein. Also provided herein are pharmaceutical compositions comprising the compounds and conjugates, therapeutic methods and uses involving the compounds and conjugates, for example in cancer therapy, and novel synthetic processes.

  本文提供了通式 I 的新型 maytansinoid 化合物。本文还提供了包含通过连接体与结合蛋白连接的化合物的共轭物，以及包含通过连接体与至少一个能与结合蛋白反应的官能团连接的化合物的共轭试剂。本文还提供了包含化合物和共轭物的药物组合物、涉及化合物和共轭物的治疗方法和用途（例如在癌症治疗中）以及新型合成工艺。
• Conjugates and conjugating reagents
  申请人：POLYTHERICS LIMITED

  公开号：US11027022B2

  公开（公告）日：2021-06-08

  A conjugate of a protein or peptide conjugated to a therapeutic, diagnostic or labelling agent via a linker, in which the linker includes a protein or peptide bonding portion having the general formula: in which Pr represents said protein or peptide, each Nu represents a nucleophile present in or attached to the protein or peptide, each of A and B independently represents a C1-4alkylene or alkenylene chain, and W′ represents an electron withdrawing group or a group obtained by reduction of an electron withdrawing group; and in which the linker also includes a cyclodextrin. The invention also provides reagents for making such conjugates.

  一种通过连接体与治疗剂、诊断剂或标记剂连接的蛋白质或肽的共轭物，其中连接体包括具有通式的蛋白质或肽键合部分： 其中，Pr 代表所述蛋白质或肽，每个 Nu 代表存在于蛋白质或肽中或连接到蛋白质或肽上的亲核体，A 和 B 各自独立地代表 C1-4 烯链或烯链，W′ 代表取电子基团或通过还原取电子基团而得到的基团；其中，连接体还包括环糊精。本发明还提供了制造这种共轭物的试剂。
• Antibodies, uses thereof and conjugates thereof
  申请人：Polytherics Limited

  公开号：US11485792B2

  公开（公告）日：2022-11-01

  An antibody or antigen-binding portion thereof which binds to PSMA and comprises a heavy chain variable domain comprising the sequence given in SEQ ID NO:33, wherein SEQ ID NO:33 is: EVQLVQSGX9E X11KKPGASVKV SCKX24SGYTFT EYTIHWVX38QA X41 GKGLEWIGN INPNX55GGTTY NOKFEDRX68TX70 TVDKSTSTAY MELSSLRSED TAVYYCAAGW NFDYWGOGTT VTVSS wherein: X9 is A or P X11 is V or L X24 is A or T X38 is R or K X41 is P or H X55 is N or Q X68 is V or A; and X70 is I or L whereby the heavy chain variable domain comprises up to 3 amino acid sequence modification(s) between positions 1-30, 36-49, 67-98 and 105-115 of SEQ ID NO: 33. The invention also provides compounds that include the antibody or antigen-binding portion thereof, such as conjugates, and their use in the treatment or diagnosis of diseases, in particular cancers, particularly prostate cancer.

  一种抗体或其抗原结合部分，该抗体或其抗原结合部分与 PSMA 结合并包含一个重链可变结构域，该结构域包含 SEQ ID NO:33 中给出的序列，其中 SEQ ID NO:33 为：EVQLVQSGX9E X11KKPGASVKV SCKX24SGYTFT EYTIHWVX38QA X41 GKGLEWIGN INPNX55GGTTY NOKFEDRX68TX70 TVDKSTSTAY MELSSLRSED TAVYYCAAGW NFDYWGOGTT VTVSS 其中：X9 是 A 或 P X11 是 V 或 L X24 是 A 或 T X38 是 R 或 K X41 是 P 或 H X55 是 N 或 Q X68 是 V 或 A；以及 X70 是 I 或 L 其中重链可变结构域包括 SEQ ID NO: 33 的 1-30、36-49、67-98 和 105-115 位之间的多达 3 个氨基酸序列修饰。本发明还提供了包括其抗体或抗原结合部分的化合物，如共轭物，以及它们在治疗或诊断疾病，特别是癌症，尤其是前列腺癌中的用途。
• ANTIBODY-ACTIVE AGENT CONJUGATES AND METHODS OF USE
  申请人：LegoChem Biosciences, Inc.

  公开号：US20140161829A1

  公开（公告）日：2014-06-12

  The invention provides protein-active agent conjugates having an amino acid motif that can be recognized by an isoprenoid transferase. The invention also provides compositions containing the conjugates. The invention further provides methods for using the conjugates to deliver the active agent to a target cell, as well as methods for using the conjugates to treat a subject in need thereof (e.g., a subject in need of the active agent).
• Methods of preparing antibody-active agent conjugates
  申请人：LegoChem Biosciences, Inc.

  公开号：US20140187756A1

  公开（公告）日：2014-07-03

  The invention provides methods for preparing an antibody-active agent conjugate. The conjugate comprises an antibody, a cysteine residue of an amino acid motif that can be recognized by an isoprenoid transferase located at or after the carboxy-terminus of the antibody, an isoprenoid unit operably linked to the cysteine residue, and an active agent. The invention also provides a composition comprising the antibody-active agent conjugate prepared by the methods.