[4-(2,4-dimethoxy-phenyl)-5-oxo-4,5-dihydro-[1,2]dithiolo[4,3-b]pyrrol-6-yl]-thiocarbamic acid S-ethyl ester | 1015065-11-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: [4-(2,4-dimethoxy-phenyl)-5-oxo-4,5-dihydro-[1,2]dithiolo[4,3-b]pyrrol-6-yl]-thiocarbamic acid S-ethyl ester
• 英文别名: S-ethyl N-[4-(2,4-dimethoxyphenyl)-5-oxodithiolo[4,3-b]pyrrol-6-yl]carbamothioate
• CAS: 1015065-11-8
• 化学式: C₁₆H₁₆N₂O₄S₃
• 分子量: 396.512
• InChiKey: XVWOBRDVSCXXON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  144
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  6-amino-4-(2,4-dimethoxyphenyl)-4H,5H-[1,2]dithiolo[4,3-b]pyrrol-5-one hydrochloride 、 硫代氯甲酸乙酯 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 [4-(2,4-dimethoxy-phenyl)-5-oxo-4,5-dihydro-[1,2]dithiolo[4,3-b]pyrrol-6-yl]-thiocarbamic acid S-ethyl ester
  参考文献：
  名称：

  WO2008/38175

  摘要：

  公开号：

文献信息

• DITHIOLOPYRROLONE COMPOUNDS, THE PREPARATION AND THE USE THEREOF
  申请人：Wang Guoping

  公开号：US20100210856A1

  公开（公告）日：2010-08-19

  The invention discloses a dithiolopyrrolone compound represented by formula I or its pharmaceutically acceptable salts, wherein X 1 , R 1 , R 2 , R 3 , R 4 are defined as in the description. The invention also discloses the preparation of such compounds, and the use of such compounds in preparation of medicaments for increasing peripheral white blood cells and in preparation of ancillary medicaments for inhibiting the decrease of peripheral white blood cells in radiotherapy or chemotherapy.

  该发明公开了一种由化学式I表示的二硫代吡咯烷酮化合物或其药用可接受的盐，其中X1、R1、R2、R3、R4的定义如描述中所述。该发明还公开了这类化合物的制备，以及在制备用于增加外周白细胞的药物和用于抑制放疗或化疗中外周白细胞减少的辅助药物中使用这类化合物。
• NOVEL DITHIOLOPYRROLONES AND THEIR THERAPEUTICAL APPLICATIONS
  申请人：Celestial Pharmaceuticals (Shenzhen) LTD.

  公开号：EP2076519B1

  公开（公告）日：2014-01-15
• DITHIOLOPYRROLONES COMPOUNDS AND THEIR THERAPEUTIC APPLICATIONS
  申请人：Guo Yingping

  公开号：US20100041729A1

  公开（公告）日：2010-02-18

  The present invention provides dithiolopyrrolone compounds of the general formula I, and their salts, wherein A is sulfur or carbon, and R 1 , R 2 , and R 3 are selected from groups defined herein, and wherein when A is sulfur, then B is oxygen, and n=1 or 2, and when A is carbon, then B is oxygen or sulfur, and n=1. The compounds are useful for the prevention and treatment of microbial infections such as HIV infection, and for the treatment of blood disorders, such as neutropenia. In particular, the compounds are useful for the manufacture of medicaments for increasing white blood cells.
• US8071637B2
  申请人：——

  公开号：US8071637B2

  公开（公告）日：2011-12-06
• WO2008/38175
  申请人：——

  公开号：——

  公开（公告）日：——