2-amino-5-(2-chlorophenyl)-4-oxo-4,5-dihydrofuran-3-yl phenylmethanesulfonate

• 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: 2-amino-5-(2-chlorophenyl)-4-oxo-4,5-dihydrofuran-3-yl phenylmethanesulfonate
• 英文别名: 2-(2-chlorophenyl)-4-[[phenylmethylsulfonyl]oxy]-5-amino-3(2H)-furanone；[2-amino-5-(2-chlorophenyl)-4-oxofuran-3-yl] phenylmethanesulfonate
• 化学式: C₁₇H₁₄ClNO₅S
• 分子量: 379.821
• InChiKey: FOGWFWDJRVMWKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  104
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-amino-5-(2-chlorophenyl)-4-oxo-4,5-dihydrofuran-3-yl phenylmethanesulfonate 在 重水 、 potassium carbonate 作用下， 以 四氢呋喃 为溶剂， 反应 216.0h， 生成 (R)-2-amino-5-(2-chlorophenyl)-4-oxo-4,5-dihydrofuran-3-yl-5-d phenylmethanesulfonate-d2 、 (S)-2-amino-5-(2-chlorophenyl)-4-oxo-4,5-dihydrofuran-3-yl-5-d phenylmethanesulfonate-d2
  参考文献：
  名称：

  [EN] ISOTOPICALLY-STABILIZED TETRONIMIDE COMPOUNDS
  [FR] COMPOSÉS DE TÉTRONIMIDE À STABILISATION ISOTOPIQUE

  摘要：

  Isotopically-stabilized tetronimide compounds comprising one or more deuterium atoms, derivatives, and intermediates, thereof, including methods for their synthesis, pharmaceutical compositions thereof, and methods of using these compounds to interact with target molecules in cell-free samples, cell- and tissue-based assays, animal models, and in a subject are disclosed. One aspect relates to molecules that modulate the expression or catalytic activity of aspartyl (asparaginyl) β-hydroxylase (ASPH) within or on the surface of a cell. Other aspects of the invention relate to use of the molecules disclosed herein to diagnose, ameliorate, or treat cell proliferation disorders and related diseases. Related aspects include uses of the compounds to modulate the activity of viruses, as anti¬ hyperlipidemia agents, and as agents to ameliorate or treat thrombosis and related cardiovascular and metabolic disorders.

  公开号：

  WO2020168170A1
• 作为产物：
  描述：

  5-氨基-2-(2-氯苯基)-4-羟基呋喃-3-酮 、 三乙胺 、 苄磺酰氯 、 氯化铵 在 氩 、 乙醚 、 水 、 Brine 、 Sodium sulfate-III 、 甲醇 作用下， 以 四氢呋喃 为溶剂， 反应 16.5h， 生成 2-amino-5-(2-chlorophenyl)-4-oxo-4,5-dihydrofuran-3-yl phenylmethanesulfonate
  参考文献：
  名称：

  Inhibitors of Beta-Hydroxylase for Treatment of Cancer

  摘要：

  本发明涉及调节β-羟化酶（例如天冬氨酸（天冬氨酰）β-羟化酶（ASPH））活性的化合物，包括新的2-芳基-5-氨基-3（2H）-呋喃酮和2-杂环芳基-5-氨基-3（2H）-呋喃酮化合物，其制药组合物，合成方法，以及使用这些化合物在无细胞样品、细胞基因测定和受试者中调节ASPH活性的方法。本发明的其他方面涉及使用在此处披露的化合物来改善或治疗细胞增殖障碍。

  公开号：

  US20150210677A1

文献信息

• Inhibitors of beta-hydroxylase for treatment of cancer
  申请人：MIDWESTERN UNIVERSITY

  公开号：US10106532B2

  公开（公告）日：2018-10-23

  The present invention relates to compounds which modulate (e.g., inhibit) the activity of beta-hydrolase (e.g., ASPH), including novel 2-aryl-5-amino-3(2H)-furanone and 2-heteroaryl-5-amino-3(2H)-furanone compounds, pharmaceutical compositions thereof, methods for their synthesis, and methods of using these compounds to modulate the activity of ASPH in an a cell-free sample, a cell-based assay, and in a subject. Other aspects of the invention relate to use of the compounds disclosed herein to ameliorate or treat cell proliferation disorders.

  本发明涉及调节（如抑制）β-水解酶（如ASPH）活性的化合物，包括新型2-芳基-5-氨基-3(2H)-呋喃酮和2-杂芳基-5-氨基-3(2H)-呋喃酮化合物、其药物组合物、其合成方法以及使用这些化合物调节无细胞样本、基于细胞的测定和受试者体内ASPH活性的方法。本发明的其他方面涉及使用本文公开的化合物来改善或治疗细胞增殖障碍。
• Inhibitors of β-hydroxylase for treatment of cancer
  申请人：Midwestern University

  公开号：US10351555B2

  公开（公告）日：2019-07-16

  The present invention relates to compounds which modulate (e.g., inhibit) the activity of beta-hydrolase (e.g., ASPH), including novel 2-aryl-5-amino-3(2H)-furanone and 2-heteroaryl-5-amino-3(2H)-furanone compounds, pharmaceutical compositions thereof, methods for their synthesis, and methods of using these compounds to modulate the activity of ASPH in an a cell-free sample, a cell-based assay, and in a subject. Other aspects of the invention relate to use of the compounds disclosed herein to ameliorate or treat cell proliferation disorders.

  本发明涉及调节（如抑制）β-水解酶（如ASPH）活性的化合物，包括新型2-芳基-5-氨基-3(2H)-呋喃酮和2-杂芳基-5-氨基-3(2H)-呋喃酮化合物、其药物组合物、其合成方法以及使用这些化合物调节无细胞样本、基于细胞的测定和受试者体内ASPH活性的方法。本发明的其他方面涉及使用本文公开的化合物来改善或治疗细胞增殖障碍。
• Isotopically-stabilized tetronimide compounds
  申请人：Midwestern University

  公开号：US10961211B2

  公开（公告）日：2021-03-30

  Isotopically-stabilized tetronimide compounds comprising one or more deuterium atoms, derivatives, and intermediates, thereof, including methods for their synthesis, pharmaceutical compositions thereof, and methods of using these compounds to interact with target molecules in cell-free samples, cell- and tissue-based assays, animal models, and in a subject are disclosed. One aspect relates to molecules that modulate the expression or catalytic activity of aspartyl (asparaginyl) β-hydroxylase (ASPH) within or on the surface of a cell. Other aspects of the invention relate to use of the molecules disclosed herein to diagnose, ameliorate, or treat cell proliferation disorders and related diseases. Related aspects include uses of the compounds to modulate the activity of viruses, as anti-hyperlipidemia agents, and as agents to ameliorate or treat thrombosis and related cardiovascular and metabolic disorders.

  本发明公开了包含一个或多个氘原子的同位素稳定的四亚胺化合物、其衍生物和中间体，包括其合成方法、其药物组合物，以及使用这些化合物在无细胞样本、基于细胞和组织的检测、动物模型和受试者体内与靶分子相互作用的方法。一个方面涉及调节细胞内或细胞表面天冬氨酰（天冬酰胺酰）β-羟化酶（ASPH）的表达或催化活性的分子。本发明的其它方面涉及本文公开的分子用于诊断、改善或治疗细胞增殖障碍及相关疾病。相关方面包括使用本发明的化合物调节病毒的活性、作为抗高脂血症的药物、以及作为改善或治疗血栓形成及相关心血管和代谢疾病的药物。
• INHIBITORS OF BETA-HYDROLASE FOR TREATMENT OF CANCER
  申请人：Rhode Island Hospital

  公开号：EP2897607A2

  公开（公告）日：2015-07-29
• ISOTOPICALLY-STABILIZED TETRONIMIDE COMPOUNDS
  申请人：Midwestern University

  公开号：EP3923922A1

  公开（公告）日：2021-12-22