4-(2'-amino-4'-methyl-[4,5']bithiazolyl-2-ylamino)-benzenesulfonamide | 315705-05-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(2'-amino-4'-methyl-[4,5']bithiazolyl-2-ylamino)-benzenesulfonamide
• 英文别名: 4-[[4-(2-amino-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
• CAS: 315705-05-6
• 化学式: C₁₃H₁₃N₅O₂S₃
• 分子量: 367.477
• InChiKey: IUTRDKUXDKXXSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  189
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  4-(2'-amino-4'-methyl-[4,5']bithiazolyl-2-ylamino)-benzenesulfonamide 、 N,N'-羰基二咪唑 、 L-脯氨酰胺 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 54.0h， 生成 (S)-pyrrolidine-1,2-dicarboxylic acid 2-amide 1-{[4'-methyl-2-(4-sulfamoyl-phenylamino)-[4,5']bithiazolyl-2'-yl]-amide} 、 (S)-pyrrolidine-1,2-dicarboxylic acid 2-amide 1-[(2-{4-[((S)-2-carbamoyl-pyrrolidine-1-carbonyl)-sulfamoyl]-phenylamino}-4'-methyl-[4,5']bithiazolyl-2'-yl)-amide]
  参考文献：
  名称：

  [EN] BIS-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS
  [FR] COMPOSÉS ORGANIQUES

  摘要：

  公开号：

  WO2009080705A3
• 作为产物：
  描述：

  5-乙酰基-2-氨基-4-甲基噻唑 在 溴 作用下， 生成 4-(2'-amino-4'-methyl-[4,5']bithiazolyl-2-ylamino)-benzenesulfonamide
  参考文献：
  名称：

  NOVEL INHIBITORS OF LYSYL OXIDASES

  摘要：

  Described herein are novel compounds that block the activity of LOX family members having good IC50 values, no cellular toxicity below 10 μM, induce sensitization of the cells to doxorubicin, strong activity in a recombinant LOX/LOXL2 activity, and a chemical structure that is drug-like and does not have a PAINS flag, as well as, methods of treatment using the compounds with respect to cancer, organ fibrosis, neurodegenerative and cardiovascular diseases.

  公开号：

  US20220378753A1

文献信息

• Organic Compounds
  申请人：Fairhurst Robin Alec

  公开号：US20100298286A1

  公开（公告）日：2010-11-25

  The present invention relates to a compound of formula I and its salts, wherein the substituents are as defined in the description, to compositions and use of the compounds in the treatment of diseases ameliorated by inhibition of phosphatidylinositol 3-kinase.

  本发明涉及公式I及其盐的化合物，其中取代基如描述中所定义，以及所述化合物在治疗通过抑制磷脂酰肌醇3-激酶改善的疾病中的组合物和用途。
• SUBSTITUTED 4,5'-BITHIAZOLES AS INHIBITORS OF THE HUMAN DNA TOPOISOMERASE II
  申请人：Kemijski Institut

  公开号：EP3811940A1

  公开（公告）日：2021-04-28

  The present invention relates to substituted 4,5'-bithiazoles compounds as topoisomerase II catalytic inhibitors, and their use in therapy. In particular, the present invention relates to 4,5'-bithiazoles compounds of general formula (I) for use in therapy, particularly in the treatment of proliferative conditions, especially cancer. The present invention also relates to pharmaceutical compositions and combinations comprising 4,5'-bithiazoles compounds of general formula (I)

  本发明涉及作为拓扑异构酶II催化抑制剂的取代4,5'-联噻唑化合物及其在治疗中的应用。特别是，本发明涉及通式（I）的4,5'-联噻唑化合物，用于治疗，特别是增殖性疾病，尤其是癌症的治疗。本发明还涉及包含通式（I）的 4,5'-联噻唑化合物的药物组合物和组合物
• [EN] BITHIAZOL DERATIVES AS INHIBITORS OF LYSYL OXIDASES<br/>[FR] DÉRIVÉS DE BITHIAZOL EN TANT QU'INHIBITEURS DES LYSYL OXYDASES
  申请人：[en]UNIVERSITY OF SOUTH CAROLINA

  公开号：WO2022240476A1

  公开（公告）日：2022-11-17

  Described herein are novel bithiazol compounds that block the activity of LOX family members having good IC50 values, no cellular toxicity below 10 nM, induce sensitization of the cells to doxorubicin strong activity in a recombinant LOX/LOXL2 activity, and a chemical structure that is drug-like and does not have a PAINS flag, as well as, methods of treatment using the compounds with respect to cancer, organ fibrosis, neurodegenerative and cardiovascular diseases.
• [EN] BIS-THIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS<br/>[FR] COMPOSÉS ORGANIQUES
  申请人：NOVARTIS AG

  公开号：WO2009080705A3

  公开（公告）日：2009-09-24
• NOVEL INHIBITORS OF LYSYL OXIDASES
  申请人：University of South Carolina

  公开号：US20220378753A1

  公开（公告）日：2022-12-01

  Described herein are novel compounds that block the activity of LOX family members having good IC50 values, no cellular toxicity below 10 μM, induce sensitization of the cells to doxorubicin, strong activity in a recombinant LOX/LOXL2 activity, and a chemical structure that is drug-like and does not have a PAINS flag, as well as, methods of treatment using the compounds with respect to cancer, organ fibrosis, neurodegenerative and cardiovascular diseases.