methyl 5-methylthio-4-[N-(2-oxo-2-phenylethyl)carbamoyl]thiophene-2-carboxylate | 237384-68-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl 5-methylthio-4-[N-(2-oxo-2-phenylethyl)carbamoyl]thiophene-2-carboxylate
• 英文别名: methyl 5-methylsulfanyl-4-(phenacylcarbamoyl)thiophene-2-carboxylate
• CAS: 237384-68-8
• 化学式: C₁₆H₁₅NO₄S₂
• 分子量: 349.431
• InChiKey: DZINEIVZEIRQNK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  126
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl 5-methylthio-4-[N-(2-oxo-2-phenylethyl)carbamoyl]thiophene-2-carboxylate 在 三氯氧磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以64%的产率得到Methyl 5-methylthio-4-(5-phenyl(1,3-oxazol-2-yl))thiophene-2-carboxylate
  参考文献：
  名称：

  Heteroaryl amidines, methylamidines and guanidines, preparation thereof, and use thereof as protease inhibitors

  摘要：

  本发明涉及以下式的化合物： 其中X为O、S或NR7，R1-R7、Y和Z如规范中所述，并且其水合物、溶剂合物或药用可接受的盐也被描述。还描述了制备上述式化合物的方法。本发明的新化合物是蛋白酶的有效抑制剂，特别是胰蛋白酶样丝氨酸蛋白酶，如凝血酶、胰蛋白酶、纤溶酶和尿激酶。其中某些化合物表现出对尿激酶的直接、选择性抑制，或者是用于形成具有这种活性的化合物的中间体。

  公开号：

  US06291514B1

文献信息

• Compounds and compositons for treating C1s-mediated diseases and conditions
  申请人：3-Dimensional Pharmaceuticals, Inc.

  公开号：US20020037915A1

  公开（公告）日：2002-03-28

  Disclosed is a method for treating the symptoms of an acute or chronic disorder mediated by the classical pathway of the complement cascade, comprising administering to a mammal in need of such treatment a therapeutically effective amount of a compound of Formula I 1 or a solvate, hydrate or pharmaceutically acceptable salt thereof; wherein R 1 , R 2 , R 3 , R 4 , X, Y and Z are defined in the specification.

  揭示了一种治疗急性或慢性疾病症状的方法，该疾病是由补体级联的经典途径介导的，包括向需要此类治疗的哺乳动物施用化合物I的治疗有效量或其溶剂化合物、水合物或药用可接受盐；其中规范中定义了R1、R2、R3、R4、X、Y和Z。
• Heteroaryl amidines, methylamidines and guanidines, and use thereof as protease inhibitors
  申请人：3-Dimensional Pharmaceuticals, Inc.

  公开号：US06403633B2

  公开（公告）日：2002-06-11

  The present invention is directed to compounds of Formula I: wherein X is O, S or NR7 and R1-R7, Y and Z are set forth in the specification, as well as hydrates, solvates or pharmaceutically acceptable salts thereof. Also described are methods for preparing the compounds of Formula I. The novel compounds of the present invention are potent inhibitors of proteases, especially trypsin-like serine proteases, such as chymotrypsin, trypsin, plasmin and urokinase. Certain of the compounds exhibit direct, selective inhibition of urokinase, or are intermediates useful for forming compounds having such activity.

  本发明涉及式I的化合物：其中X为O、S或NR7，R1-R7、Y和Z在说明书中列出，以及其水合物、溶剂合物或药学上可接受的盐。还描述了制备式I化合物的方法。本发明的新型化合物是蛋白酶的强效抑制剂，特别是胰蛋白酶样丝氨酸蛋白酶，如胰蛋白酶、胰凝乳蛋白酶和尿激酶。其中某些化合物表现出直接、选择性的尿激酶抑制作用，或者是用于形成具有此类活性的化合物的中间体。
• Methods of treating C1s-mediated diseases and conditions and compositions thereof
  申请人：3-Dimensional Pharmaceuticals, Inc.

  公开号：US06492403B1

  公开（公告）日：2002-12-10

  Disclosed is a method for treating the symptoms of an acute or chronic disorder mediated by the classical pathway of the complement cascade, comprising administering to a mammal in need of such treatment a therapeutically effective amount of a compound of Formula I or a solvate, hydrate or pharmaceutically acceptable salt thereof; wherein R1, R2, R3, R4, X, Y and Z are defined in the specification.

  本发明涉及一种治疗由补体级联经典途径介导的急性或慢性疾病症状的方法，包括向需要此类治疗的哺乳动物中投与化合物I的治疗有效量或其溶剂、水合物或药学上可接受的盐；其中R1、R2、R3、R4、X、Y和Z在规范中定义。
• Heteroaryl amidines, methylamidines and guanidines, and the use thereof as protease inhibitors
  申请人：3-Dimensional Pharmaceuticals, Inc.

  公开号：US06562840B1

  公开（公告）日：2003-05-13

  The present invention is directed to compounds of Formula I: wherein X is O, S or NR7 and R1—R7, Y and Z are set forth in the specification, as well as hydrates, solvates or pharmaceutically acceptable salts thereof. Also described are methods for preparing the compounds of Formula I. The novel compounds of the present invention are potent inhibitors of proteases, especially trypsin-like serine proteases, such as chymotrypsin, trypsin, plasmin and urokinase. Certain of the compounds exhibit direct, selective inhibition of urokinase, or are intermediates useful for forming compounds having such activity.

  本发明涉及以下化合物（I）：其中X为O，S或NR7，R1-R7，Y和Z如规范所述，以及其水合物、溶剂合物或药学上可接受的盐。还描述了制备化合物（I）的方法。本发明的新型化合物是蛋白酶的有效抑制剂，特别是类似胰蛋白酶的丝氨酸蛋白酶，如胰蛋白酶、胰凝乳蛋白酶和尿激酶。其中某些化合物直接、选择性地抑制尿激酶，或者是用于形成具有这种活性的化合物的中间体。
• Compounds and compositions for treating C1s-mediated diseases and conditions
  申请人：3-Dimensional Pharmaceuticals, Inc.

  公开号：US06515002B2

  公开（公告）日：2003-02-04

  Disclosed is a method for treating the symptoms of an acute or chronic disorder mediated by the classical pathway of the complement cascade, comprising administering to a mammal in need of such treatment a therapeutically effective amount of a compound of Formula I or a solvate, hydrate or pharmaceutically acceptable salt thereof; wherein R1, R2, R3, R4, X, Y and Z are defined in the specification.

  本发明揭示了一种治疗由补体级联反应的经典途径介导的急性或慢性疾病症状的方法，包括向需要此类治疗的哺乳动物施用公式I或其溶剂化物、水合物或药学上可接受的盐的治疗有效量；其中R1、R2、R3、R4、X、Y和Z在说明书中定义。