tert-butyl N-[3-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]propylsulfonyl]-N-methylcarbamate | 875056-29-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: tert-butyl N-[3-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]propylsulfonyl]-N-methylcarbamate
• CAS: 875056-29-4
• 化学式: C₂₁H₂₇ClN₄O₅S₂
• 分子量: 515.054
• InChiKey: VWMCOYRGCDTFCQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  152
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  ethyl 2-(4-{N-methyl-N-(tert-butoxycarbonyl)sulfamoyl}-propylamino)-2-methylpropionate 、 2-氯-4-异硫氰酰基苯氰 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 1.5h， 以93%的产率得到tert-butyl N-[3-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]propylsulfonyl]-N-methylcarbamate
  参考文献：
  名称：

  [EN] NOVEL IMIDAZOLIDINE DERIVATIVES
  [FR] NOUVEAUX DÉRIVÉS IMIDAZOLIDINE

  摘要：

  通式（I）代表的化合物；以及含有这些化合物的药物和药用组合物：（I）中n是1到20的整数；Q是（II）或（III）A是氰基或类似物；B是氢、卤素或类似物；X1和X2分别独立地从O和S之间选择；E是C1-4烷基；R1、R2、R3和R4分别独立地从氢和C1-6烷基之间选择。

  公开号：

  WO2006013887A1

文献信息

• NOVEL IMIDAZOLIDINE DERIVATIVES
  申请人：CHUGAI SEIYAKU KABUSHIKI KAISHA

  公开号：EP1775289A1

  公开（公告）日：2007-04-18

  The present invention provides a compound represented by formula (I): wherein n is an integer selected from 1 to 20, Q is A is cyano or the like; B is hydrogen, halogen, or the like; X1 and X2 are each independently selected from O and S; E is a C1-4 alkyl group; and R1, R2, R3 and R4 are each independently selected from a hydrogen atom and a C1-C6 alkyl group, and a drug, a pharmaceutical composition containing the compound, and the like.

  本发明提供了一种由式 (I) 代表的化合物： 其中 n 是选自 1 至 20 的整数，Q 是 A是氰基或类似物；B是氢、卤素或类似物；X1和X2各自独立地选自O和S；E是C1-4烷基；以及R1、R2、R3和R4各自独立地选自氢原子和C1-C6烷基。
• Novel Imidazolidine Derivatives
  申请人：Tachibana Kazutaka

  公开号：US20070249697A1

  公开（公告）日：2007-10-25

  The present invention provides a compound represented by formula (I): wherein n is an integer selected from 1 to 20, Q is A is cyano or the like; B is hydrogen, halogen, or the like; X 1 and X 2 are each independently selected from O and S; E is a C 1-4 alkyl group; and R 1 , R 2 , R 3 and R 4 are each independently selected from a hydrogen atom and a C 1 -C 6 alkyl group, and a drug, a pharmaceutical composition containing the compound, and the like.
• US7803826B2
  申请人：——

  公开号：US7803826B2

  公开（公告）日：2010-09-28
• [EN] NOVEL IMIDAZOLIDINE DERIVATIVES<br/>[FR] NOUVEAUX DÉRIVÉS IMIDAZOLIDINE
  申请人：CHUGAI PHARMACEUTICAL CO LTD

  公开号：WO2006013887A1

  公开（公告）日：2006-02-09

  Compounds represented by the general formula (I); and drugs and medicinal compositions, containing the compounds: (I) wherein n is an integer of 1 to 20; Q is (II) or (III) A is cyano or the like; B is hydrogen, halogeno, or the like; X1 and X2 are each independently selected from between O and S; E is C1-4 alkyl; and R1, R2, R3 and R4 are each independently selected from between hydrogen and C1-6 alkyl.

  通式（I）代表的化合物；以及含有这些化合物的药物和药用组合物：（I）中n是1到20的整数；Q是（II）或（III）A是氰基或类似物；B是氢、卤素或类似物；X1和X2分别独立地从O和S之间选择；E是C1-4烷基；R1、R2、R3和R4分别独立地从氢和C1-6烷基之间选择。