2-[2-(二氨基亚甲基氨基)乙基硫基甲基]-3-硫基丙酸 | 77102-28-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 2-[2-(二氨基亚甲基氨基)乙基硫基甲基]-3-硫基丙酸
• 英文名称: Mergepta
• 英文别名: 2-[2-(diaminomethylideneamino)ethylsulfanylmethyl]-3-sulfanylpropanoic acid
• CAS: 77102-28-4
• 化学式: C₇H₁₅N₃O₂S₂
• 分子量: 237.3
• InChiKey: AKPKWZRKZOAAAZ-UHFFFAOYSA-N

物化性质

• 沸点：
  427.0±55.0 °C(Predicted)
• 密度：
  1.47±0.1 g/cm3(Predicted)
• 溶解度：
  DMSO（轻微加热）、甲醇（轻微加热）、水（轻微超声处理）

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  14
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  128
• 氢给体数：
  4
• 氢受体数：
  5

安全信息

• 海关编码：
  2930909090

文献信息

• RADIOLABELED DRUG
  申请人：National University Corporation Chiba University

  公开号：US20190091353A1

  公开（公告）日：2019-03-28

  The present invention relates to a compound, etc. capable of providing a radiolabeled drug that can reduce the renal accumulation thereof in the early stage after the administration thereof. [1] A compound, etc. represented by the formula (1), [2] a compound, etc. containing the compound, etc. according to the item [1] and a target molecule recognition element bonded thereto, [3] a metal complex compound, etc. containing one kind of a metal selected from a radioactive metal and a radioactive atom-labeled metal, and the compound, etc. according to the item [1] or [2], which is coordinated to the metal, [4] a drug for preparing a radiolabeled drug, containing the compound, etc. according to the item [1] or [2], [5] use of the compound, etc. according to the item [1] or [2], for producing a radiolabeled drug, [6] a radiolabeled drug containing the metal complex compound, etc. according to the item [3], and [7] a radiodiagnostic imaging agent containing the metal complex compound, etc. according to the item [3]:

  本发明涉及一种化合物等，能够提供一种放射性标记药物，该药物在给药后的早期阶段能够减少其在肾脏中的积累。【1】一种由式（1）表示的化合物等，【2】一种包含根据项目【1】中的化合物等及与之结合的靶分子识别元素的化合物等，【3】一种金属配合物等，包含从放射性金属和放射性原子标记金属中选择的一种金属，并与根据项目【1】或【2】的化合物等配位的化合物等，【4】用于制备放射性标记药物的药物，包含根据项目【1】或【2】的化合物等，【5】使用根据项目【1】或【2】的化合物等，用于生产放射性标记药物，【6】包含根据项目【3】的金属配合物等的放射性标记药物，以及【7】包含根据项目【3】的金属配合物等的放射诊断成像剂。
• [EN] USE OF CYCLIC ANABAENOPEPTIN-TYPE PEPTIDES FOR THE TREATMENT OF A CONDITION WHEREIN INHIBITION OF CARBOXYPEPTIDASE U IS BENEFICIAL, NOVEL ANABAENOPEPTIN DERIVATIVES AND INTERMEDIATES THEREOF<br/>[FR] UTILISATION DE PEPTIDES CYCLIQUES DE TYPE ANABAENOPEPTINE DESTINES AU TRAITEMENT D'UN ETAT POUR LEQUEL L'INHIBITION DE LA CARBOXYPEPTIDASE U EST BENEFIQUE, DERIVES DE L'ANABAENOPEPTINE ET INTERMEDIAIRES DE CELLE-CI
  申请人：ASTRAZENECA AB

  公开号：WO2005039617A1

  公开（公告）日：2005-05-06

  The use of a compound of formula (I): in a method of manufacturing a medicament for the treatment or prophylaxis of a condition wherein inhibition of carboxypeptidase U is beneficial; specified compounds of formula (I) and compositions comprising a compound of formula (I) and a pharmaceutically acceptable adjuvant, diluent or carrier.

  在制造用于治疗或预防抑制羧肽酶U有益的药物的方法中使用公式（I）的化合物；指定的公式（I）的化合物和包含公式（I）的化合物以及药用可接受的辅料、稀释剂或载体的组合物。
• [EN] 2,5-DISUBSTITUTED 3-MERCAPTOPENTANOIC ACID<br/>[FR] ACIDE 2,5-BISUBSTITUE 3-MERCAPTOPENTANOIQUE
  申请人：ASTRAZENECA AB

  公开号：WO2003106420A1

  公开（公告）日：2003-12-24

  The present invention concerns compounds of formula (I), and pharmaceutically acceptable salts or solvates thereof, or solvates of such salts, which compounds inhibit carboxypeptidase U and thus can be used in the prevention and treatment of diseases where inhibition of carboxypeptidase U is beneficial. In further aspects, the invention relates to compounds of the invention for use in therapy; to processes for preparation of such new compounds; to pharmaceutical compositions containing at least one compound of the invention, or a pharmaceutically acceptable salt or solvate thereof, as active ingredient; and to the use of the active compounds in the manufacture of medicaments for the medical use indicated above.

  本发明涉及式(I)的化合物以及其药学上可接受的盐或溶剂，或这些盐的溶剂，这些化合物抑制羧肽酶U，因此可以用于预防和治疗抑制羧肽酶U有益的疾病。在进一步方面，本发明涉及用于治疗的本发明化合物；制备这些新化合物的过程；含有本发明化合物中至少一种，或其药学上可接受的盐或溶剂的制药组合物作为活性成分；以及将活性化合物用于制造上述医疗用途的药物。
• [EN] NEW COMPOUNDS<br/>[FR] NOUVEAUX COMPOSES
  申请人：ASTRAZENECA AB

  公开号：WO2000066557A1

  公开（公告）日：2000-11-09

  The present invention relates to compounds of Formula (I), and pharmaceutically acceptable salts or solvates thereof, or solvates of such salts, which compounds inhibit carboxypeptidase U and thus can be used in the prevention and treatment of diseases associated with carboxypeptidase U. In further aspects, the invention relates to compounds of the invention for use in therapy; to processes for preparation of such new compounds; to pharmaceutical compositions containing at least one compound of the invention, or a pharmaceutically acceptable salt or solvate thereof, as active ingredient; and to the use of the active compounds in the manufacture of medicaments for the medical use indicated above.

  本发明涉及式(I)的化合物，以及其药学上可接受的盐或溶剂，或这些盐的溶剂，这些化合物抑制羧肽酶U，因此可用于预防和治疗与羧肽酶U相关的疾病。在进一步方面，本发明涉及用于治疗的本发明化合物；制备这些新化合物的过程；包含本发明化合物中至少一种，或其药学上可接受的盐或溶剂的制药组合物，作为活性成分；以及在制造上述医疗用途的药物中使用活性化合物。
• [EN] ANTICOAGULANT COMPOUNDS<br/>[FR] COMPOSES ANTICOAGULANTS
  申请人：MERCK & CO INC

  公开号：WO2003013526A1

  公开（公告）日：2003-02-20

  Compounds of the invention are useful in inhibiting carboxypeptidase U and associated thrombotic occlusions having the structure (I) and pharmaceutically acceptable salts thereof, wherein t is N or N(R2'), u is C(R3) or N(R2'), and v is C(R2), N or N(R2), provided that, 1) when t is N and u is C(R3), then v is N(R2); 2) when t is N and u is N(R2'), then v is C(R2), and 3) when t is N(R2') and u is C(R3), then v is N or N(R2).

  本发明的化合物在抑制羧肽酶U和相关的血栓闭塞性疾病中具有用途，其结构式为(I)及其药学上可接受的盐，其中t为N或N(R2')，u为C(R3)或N(R2')，v为C(R2)、N或N(R2)，但需满足以下条件：1）当t为N且u为C(R3)时，则v为N(R2)；2）当t为N且u为N(R2')时，则v为C(R2)；3）当t为N(R2')且u为C(R3)时，则v为N或N(R2)。