(4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-(tert-butyl)-2-ethoxy-phenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole-1-carbonyl chloride | 939981-36-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-(tert-butyl)-2-ethoxy-phenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole-1-carbonyl chloride
• 英文别名: (4S,5R)-2-(4-tert-butyl-2-ethoxy-phenyl)-4,5-bis-(4-chloro-phenyl)-4,5-dimethyl-4,5-dihydro-imidazole-1-carbonyl chloride；(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl chloride
• CAS: 939981-36-9
• 化学式: C₃₀H₃₁Cl₃N₂O₂
• 分子量: 557.947
• InChiKey: ATUPWLCYCJXZHW-XZWHSSHBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.8
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  41.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-(tert-butyl)-2-ethoxy-phenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole-1-carbonyl chloride 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 2-(4-((4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole-1-carbonyl)piperazin-1-yl)acetic acid
  参考文献：
  名称：

  DEVELOPMENT OF A NOVEL EBNA-1 DEGRADER TARGETING THROUGH MDM2

  摘要：

  Disclosed herein are compounds of the formulas: as well as analogs thereof, wherein the variables are defined herein. Also provided are pharmaceutical compositions thereof. In some aspects, the compounds and compositions provided herein may be used to inhibit EBNA-1. Also provided are methods of administering compounds and compositions provided herein to a patient in need thereof, for example, for the treatment or prevention of autoimmune and EBV-related cancers.

  公开号：

  WO2024050408A1
• 作为产物：
  描述：

  rac-(4S*,5R*)-4,5-bis(4-chlorophenyl)-2-(4-(tert-butyl)-2-ethoxy-phenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole-1-carbonyl chloride 以 二氧化碳 、 乙腈 为溶剂， 35.0 ℃ 、10.0 MPa 条件下， 生成 (4S,5R)-4,5-bis(4-chlorophenyl)-2-(4-(tert-butyl)-2-ethoxy-phenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole-1-carbonyl chloride
  参考文献：
  名称：

  4,4,5,5, Tetrasubstituted imidazolines

  摘要：

  提供了一种公式I的化合物以及其药用可接受的盐和酯，其中X1，X2，R1，R2，R3，R4，R5和R6如本文所述。这些化合物作为抗癌药物表现活性。

  公开号：

  US20070129416A1

文献信息

• 4,4,5,5, tetrasubstituted imidazolines
  申请人：Hoffmann-La Roche Inc.

  公开号：US07851626B2

  公开（公告）日：2010-12-14

  There is provided a compound of formula I and the pharmaceutically acceptable salts and esters thereof wherein X1, X2, R1, R2, R3, R4, R5 and R6 are herein described. The compounds exhibit activity as anticancer agents.

  提供了一个公式I的化合物及其药学上可接受的盐和酯，其中X1、X2、R1、R2、R3、R4、R5和R6在此描述。这些化合物表现出抗癌剂的活性。
• 2,4,5-triphenyl imidazoline derivatives as inhibitors of the interaction between p53 and mdm2 proteins for use as anticancer agents
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2130822A1

  公开（公告）日：2009-12-09

  The present invention relates to compounds of formula I and the pharmaceutically acceptable salts and esters thereof wherein X1, X2, R1, R2, R3, R4, R5 and R6 are defined as in claim. The compounds exhibit activity as anticancer agents.

  本发明涉及式 I 的化合物 及其药学上可接受的盐和酯，其中 X1、X2、R1、R2、R3、R4、R5 和 R6 的定义如权利要求所述。这些化合物具有抗癌活性。
• 2,4,5-triphenyl imidazoline derivatives as inhibitors of the interaction between P53 and MDM2 proteins for use as anticancer agents
  申请人：F. Hoffmann-La Roche AG

  公开号：EP2311814A1

  公开（公告）日：2011-04-20

  There is provided a compound of formula I and the pharmaceutically acceptable salts and esters thereof wherein X1, X2, R1, R2, R3, R4, R5 and R6 are herein described. The compounds exhibit activity as anticancer agents.

  提供了一种式 I 的化合物 及其药学上可接受的盐和酯，其中 X1、X2、R1、R2、R3、R4、R5 和 R6 如本文所述。这些化合物具有抗癌活性。
• 2,4,5-TRIPHENYL IMIDAZOLINE DERIVATIVES AS INHIBITORS OF THE INTERACTION BETWEEN P53 AND MDM2 PROTEINS FOR USE AS ANTICANCER AGENTS
  申请人：F. Hoffmann-La Roche AG

  公开号：EP1960368A1

  公开（公告）日：2008-08-27
• US7851626B2
  申请人：——

  公开号：US7851626B2

  公开（公告）日：2010-12-14