2,3-methylenedioxyphenylthiourea | 111081-11-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 2,3-methylenedioxyphenylthiourea
• 英文别名: N-1,3-Benzodioxol-4-ylthiourea；1,3-benzodioxol-4-ylthiourea
• CAS: 111081-11-9
• 化学式: C₈H₈N₂O₂S
• 分子量: 196.23
• InChiKey: VXIHYKXOKLFLQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  88.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,3-methylenedioxyphenylthiourea 在 trans-3,5-dihydroperoxy-3,5-dimethyl-1,2-dioxolane 、 水 、 potassium hydroxide 作用下， 以 乙腈 为溶剂， 反应 0.08h， 以96%的产率得到1,3-benzodioxol-4-yl-urea
  参考文献：
  名称：

  Selective and facile oxidative desulfurization of thioureas and thiobarbituric acids with singlet molecular oxygen generated from trans-3,5-dihydroperoxy-3,5-dimethyl-1,2-dioxolane

  摘要：

  An efficient and facile procedure using trans-3,5-dihydroperoxy-3,5-dimethyl-1,2-dioxolane has been developed for oxidative desulfurization of thioureas and thiobarbituric acids. The reactions proceeded smoothly very fast under mild conditions in basic media at room temperature to afford the respective ureas in excellent yields. Simple procedure and work up, mild conditions, high yields, short reaction times, use of highly potent and non-toxic oxidant are the main merits of the present method.[GRAPHICS].

  DOI：

  10.1080/17415993.2015.1082181

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：——

  公开号：US20010031781A1

  公开（公告）日：2001-10-18

  The present invention is directed to compounds of Formula I: wherein X is O, S or NR 7 and R 1 -R 7 , 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 是 O、S 或 NR 7 和 R 1 -R 7 、Y 和 Z，以及它们的水合物、溶剂或药学上可接受的盐，均已在说明书中阐明。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，如糜蛋白酶、胰蛋白酶、凝血酶和尿激酶。其中某些化合物对尿激酶有直接的选择性抑制作用，或者是用于形成具有这种活性的化合物的中间体。
• HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS
  申请人：3-DIMENSIONAL PHARMACEUTICALS, INC.

  公开号：EP1054886B1

  公开（公告）日：2002-09-04
• METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR
  申请人：3-DIMENSIONAL PHARMACEUTICALS, INC.

  公开号：EP1152759A2

  公开（公告）日：2001-11-14
• HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS
  申请人：3-DIMENSIONAL PHARMACEUTICALS, INC.

  公开号：EP1150979A1

  公开（公告）日：2001-11-07