(3'-羧基甲基-5-(2-(3-乙基-3H-苯并噻唑-2-亚基)-1-甲基-亚乙基)-4,4'-二羰基-2'-硫代-(2,5')联噻唑烷亚基-3-基)-乙酸 | 74292-78-7

• 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
• 中文名称: (3'-羧基甲基-5-(2-(3-乙基-3H-苯并噻唑-2-亚基)-1-甲基-亚乙基)-4,4'-二羰基-2'-硫代-(2,5')联噻唑烷亚基-3-基)-乙酸
• 英文名称: glycylglycylphenylalanine
• 英文别名: Glycyl-glycyl-DL-phenylalanin；N-(N-glycyl-glycyl)-DL-phenylalanine；glycyl=>glycyl=>phenylalanine；Diglycyl=>DL-phenylalanin；N-(N-Glycyl-glycyl)-DL-phenylalanin；Glycyl=>glycyl=>phenylalanin；Diglycyl-dl-phenylalanin；2-[[2-[(2-azaniumylacetyl)amino]acetyl]amino]-3-phenylpropanoate
• CAS: 74292-78-7
• 化学式: C₁₃H₁₇N₃O₄
• 分子量: 279.296
• InChiKey: KAJAOGBVWCYGHZ-UHFFFAOYSA-N

物化性质

• 沸点：
  647.1±55.0 °C(Predicted)
• 密度：
  1.296±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -3.1
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  122
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (3'-羧基甲基-5-(2-(3-乙基-3H-苯并噻唑-2-亚基)-1-甲基-亚乙基)-4,4'-二羰基-2'-硫代-(2,5')联噻唑烷亚基-3-基)-乙酸 在 盐酸 、 silver(I) nitrite 作用下， 生成 N-(N-glycoloyl-glycyl)-phenylalanine
  参考文献：
  名称：

  Kawai, American Journal of Biochemistry, vol. 10, p. 304

  摘要：

  DOI：
• 作为产物：
  描述：

  N-(N-chloroacetyl-glycyl)-DL-phenylalanine 在 ammonium hydroxide 作用下， 生成 (3'-羧基甲基-5-(2-(3-乙基-3H-苯并噻唑-2-亚基)-1-甲基-亚乙基)-4,4'-二羰基-2'-硫代-(2,5')联噻唑烷亚基-3-基)-乙酸
  参考文献：
  名称：

  Leuchs; Suzuki, Chemische Berichte, 1904, vol. 37, p. 3307

  摘要：

  DOI：

文献信息

• SOLOMONAMIDE ANALOGUE COMPOUNDS, PHARMACEUTICALS CONTAINING SOLOMONAMIDE ANALOGUE COMPOUNDS, AND PROCESSES FOR THE PREPARATION THEREOF
  申请人：COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH

  公开号：US20150291659A1

  公开（公告）日：2015-10-15

  Solomanamide analogues of Formula-I having anti-inflammatory activity, and viable synthetic routes for the preparation of such analogues, including the synthesis of macrocyclic core of Salomanamide analogues. The Solomanamide analogues of Formula-I or their pharmaceutical salt may be provided in a pharmaceutical composition and administered in an effective amount for the treatment of inflammation and/or pain.

  公式I的Solomanamide类似物具有抗炎活性，并且具有制备这种类似物的可行合成路线，包括制备Salomanamide类似物的大环核心的合成。公式I的Solomanamide类似物或其药物盐可以在药物组合物中提供，并以有效剂量用于治疗炎症和/或疼痛。
• Radiolabeled technetium chelates for use in renal function determinations
  申请人：UNIVERSITY OF UTAH RESEARCH FOUNDATION

  公开号：EP0173424A1

  公开（公告）日：1986-03-05

  The present invention is directed to novel radiopharmaceutical imaging agents incorporating Tc-99m as a radiolabel. In particular, the novel imaging agents disclosed herein have relatively high renal extraction efficiencies, and hence are useful for conducting renal function imaging procedures. The novel Tc-99m compounds of a present invention have the following general formula: wherein X is S or N; and wherein Y is -H2 or wherein Y is and where R, is -H, -CH3, or -CH2CH3; R2 is -H, -CH2CO2H, -CH2CONH2, -CH2CH2C02H, -CH2CH2CONH2, -CH3, -CH2CH3, CH2C6H5, or -CH20H; and Z is -H, -CO2H, -CONH2, -S03H, -SO2NH2, or -CONHCH2C02H; and the Tc is Tc-99m; and water-soluble salts thereof. Of the foregoing, the presently preferred Tc-99m compound of the present invention is Tc-99m-mercaptoacetylglycylglycylglycine (Tc-99m-MAGGG). The present invention is also directed to novel chelating agents that may be reacted with Tc-99m to form the foregoing compounds. Such novel chelating agents have the following general formula. where X and Y have the same definitions as above, and wherein Y' is -H2 when X is N, or wherein Y' is -H, or a suitable protective group such as -COCH3, -COC6H5, -CH2NHCOCH3, -COCF3, or -COCH20H when X is S. The present invention also provides methods for preparing and using the novel Tc-99m compounds.

  本发明涉及以 Tc-99m 为放射性标记的新型放射性药物成像剂。特别是，本发明公开的新型成像剂具有相对较高的肾提取效率，因此可用于进行肾功能成像程序。本发明的新型 Tc-99m 化合物具有以下通式： 其中 X 是 S 或 N；Y 是 -H2 或 Y 是 其中 R 是-H、-CH3 或-CH2CH3；R2 是-H、-CH2CO2H、-CH2CONH2、-CH2CH2C02H、-CH2CH2CONH2、-CH3、-CH2CH3、CH2C6H5 或-CH20H；Z是-H、-CO2H、-CONH2、-S03H、-SO2NH2或-CONHCH2C02H；Tc是Tc-99m；以及它们的水溶性盐。在上述化合物中，本发明目前优选的 Tc-99m 化合物是 Tc-99m-巯基乙酰甘氨酰甘氨酸（Tc-99m-MAGGG）。本发明还涉及可与 Tc-99m 反应生成上述化合物的新型螯合剂。此类新型螯合剂具有以下通式。 其中 X 和 Y 的定义同上，当 X 为 N 时，Y'为-H2；当 X 为 S 时，Y'为-H 或合适的保护基团，如-COCH3、-COC6H5、-CH2NHCOCH3、-COCF3 或-COCH20H。 本发明还提供了制备和使用新型 Tc-99m 化合物的方法。
• (ANTI-HER2 ANTIBODY)-DRUG CONJUGATE
  申请人：Daiichi Sankyo Co., Ltd.

  公开号：EP3130608A1

  公开（公告）日：2017-02-15

  As an antitumor drug which is excellent in terms of antitumor effect and safety and has an excellent therapeutic effect, there is provided an antibody-drug conjugate in which an antitumor compound represented by the following formula is conjugated to an anti-HER2 antibody via a linker having a structure represented by the formula: L1-L2-LP-NH-(CH2)n1-La-Lb-Lc or -L1-L2-LP-wherein the anti-HER2 antibody is connected to the terminal L1, and the antitumor compound is connected to the terminal Lc or LP with the nitrogen atom of the amino group at position 1 as the connecting position.

  作为一种抗肿瘤效果和安全性极佳且治疗效果极佳的抗肿瘤药物，本发明提供了一种抗体-药物共轭物，其中下式表示的抗肿瘤化合物通过具有下式表示的结构的连接体与抗 HER2 抗体共轭：L1-L2-LP-NH-(CH2)n1-La-Lb-Lc或-L1-L2-LP-其中，抗 HER2 抗体与末端 L1 连接，抗肿瘤化合物与末端 Lc 或 LP 连接，连接位置为 1 位氨基的氮原子。
• NOVEL CYCLIC DINUCLEOTIDE DERIVATIVE AND ANTIBODY-DRUG CONJUGATE THEREOF
  申请人：Daiichi Sankyo Company, Limited

  公开号：EP3848054A1

  公开（公告）日：2021-07-14

  Desired is development of novel CDN derivatives having STING agonist activity; and a therapeutic agents and/or therapeutic methods using the novel CDN derivatives for diseases associated with STING agonist activity. Further desired is development of a therapeutic agents and/or therapeutic methods capable of delivering the novel CDN derivatives specifically to targeted cells and organs for diseases associated with STING agonist activity. The present invention provides novel CDN derivatives having potent STING agonist activity, and antibody-CDN derivative conjugates including the novel CDN derivatives.

  希望开发出具有 STING 激动剂活性的新型 CDN 衍生物；以及使用新型 CDN 衍生物治疗与 STING 激动剂活性相关疾病的治疗剂和/或治疗方法。还希望开发一种治疗剂和/或治疗方法，能够将新型 CDN 衍生物特异性地输送到靶细胞和器官，以治疗与 STING 激动剂活性相关的疾病。本发明提供了具有强效 STING 激动剂活性的新型 CDN 衍生物，以及包括新型 CDN 衍生物的抗体-CDN 衍生物共轭物。
• Selective high-affinity polydentate ligands and methods of making such
  申请人：LAWRENCE LIVERMORE NATIONAL SECURITY, LLC

  公开号：US10292992B2

  公开（公告）日：2019-05-21

  This invention provides novel polydentate selective high affinity ligands (SHALs) that can be used in a variety of applications in a manner analogous to the use of antibodies. SHALs typically comprise a multiplicity of ligands that each bind different region son the target molecule. The ligands are joined directly or through a linker thereby forming a polydentate moiety that typically binds the target molecule with high selectivity and avidity.

  本发明提供了新型多齿选择性高亲和性配体（SHALs），可以以类似于使用抗体的方式用于各种应用。SHALs 通常由多个配体组成，每个配体与目标分子的不同区域结合。配体直接连接或通过连接体连接，从而形成多齿分子，通常能以高选择性和高热敏性结合目标分子。