6-chloro-3-[3-(4-chlorobenzyl)-5-phenyl-3H-imidazol-4-yl]-1H-indole-2-carboxylic acid (2-morpholin-4-ylethyl)amide | 1067653-58-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 6-chloro-3-[3-(4-chlorobenzyl)-5-phenyl-3H-imidazol-4-yl]-1H-indole-2-carboxylic acid (2-morpholin-4-ylethyl)amide
• 英文别名: 6-Chloro-3-[1-(4-Chlorobenzyl)-4-Phenyl-1h-Imidazol-5-Yl]-N-[2-(Morpholin-4-Yl)ethyl]-1h-Indole-2-Carboxamide；6-chloro-3-[3-[(4-chlorophenyl)methyl]-5-phenylimidazol-4-yl]-N-(2-morpholin-4-ylethyl)-1H-indole-2-carboxamide
• CAS: 1067653-58-0
• 化学式: C₃₁H₂₉Cl₂N₅O₂
• 分子量: 574.51
• InChiKey: IFORBTVIRBZFON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  40
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  75.2
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-chloro-3-[3-(4-chlorobenzyl)-5-phenyl-3H-imidazol-4-yl]-1H-indole-2-carboxylic acid (2-morpholin-4-ylethyl)amide 在 aluminum (III) chloride 、 lithium aluminium tetrahydride 、 水 、 Rochelle's salt 作用下， 以 四氢呋喃 为溶剂， 生成 {6-chloro-3-[3-(4-chloro-benzyl)-5-phenyl-3H-imidazol-4-yl]-1H-indol-2-ylmethyl}-(2-morpholin-4-yl-ethyl)-amine
  参考文献：
  名称：

  WO2008/119741

  摘要：

  公开号：
• 作为产物：
  描述：

  6-氯吲哚-2-甲酸乙酯 在 N-甲基吗啉 、 sodium hydroxide 、 乙醇 、 水 、 三乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 三氯氧磷 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 34.5h， 生成 6-chloro-3-[3-(4-chlorobenzyl)-5-phenyl-3H-imidazol-4-yl]-1H-indole-2-carboxylic acid (2-morpholin-4-ylethyl)amide
  参考文献：
  名称：

  WO2008/119741

  摘要：

  公开号：

文献信息

• [EN] HETERO-BIFUNCTIONAL DEGRADER COMPOUNDS AND THEIR USE AS MODULATORS OF TARGETED UBIQUINATION (VHL)<br/>[FR] COMPOSÉS DE DÉGRADATION HÉTÉRO-BIFONCTIONNELS ET LEUR UTILISATION EN TANT QUE MODULATEURS DE L'UBIQUINATION CIBLÉE (VHL)
  申请人：GENENTECH INC

  公开号：WO2019183523A1

  公开（公告）日：2019-09-26

  The present disclosure relates to bifunctional compounds, which can be used as modulators of targeted ubiquitination. In particular, the present disclosure is directed to compounds that contain on one end a VHL ligand moiety, which binds to the VHL ubiquitin ligase (E3), and on the other end a moiety that binds a target protein such that degradation of the target protein/polypeptide is effectuated. The target protein may be EGFR. Also disclosed are VHL ligands.

  本公开涉及双功能化合物，可用作靶向泛素化的调节剂。特别是，本公开是针对包含在一端具有VHL配体基团的化合物，该基团结合到VHL泛素连接酶(E3)，而在另一端具有结合目标蛋白的基团，从而实现目标蛋白/多肽的降解。目标蛋白可以是EGFR。还公开了VHL配体。
• 3-imidazolyl-indoles for the treatment of proliferative diseases
  申请人：Novartis AG

  公开号：US08053457B2

  公开（公告）日：2011-11-08

  The invention relates to 3-heterocyclyl indolyl compounds of formula I capable of inhibiting the interaction between p53, or variants thereof, and MDM2 and/or MDM4, or variants thereof, respectively: wherein R1, R2, R3, R4, RA, Y and Y are as defined in the specification. Due to their activity, the compounds are useful in the treatment of various disorders and diseases mediated by the activity of MDM2 and/or MDM4, or variants thereof, such as inflammatory or proliferative diseases or in the protection of cells.

  本发明涉及式I的3-杂环基吲哚化合物，能够抑制p53或其变异体与MDM2和/或MDM4或其变异体之间的相互作用：其中R1，R2，R3，R4，RA，Y和Y如说明书所定义。由于其活性，这些化合物在治疗由MDM2和/或MDM4或其变异体活性介导的各种疾病和疾病，如炎症或增殖性疾病或细胞保护方面是有用的。
• 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases
  申请人：Boettcher Andreas

  公开号：US20100125064A1

  公开（公告）日：2010-05-20

  The invention relates to 3-heterocyclyl indolyl compounds capable of inhibiting the interaction between p53, or variants thereof, and MDM2 and/or MDM4, or variants thereof, respectively, said compounds having the formula I, wherein R 1 , R 2 , R 3 , R 4 , R A , Y and Y are as defined in the specification. Due to their activity, the compounds are useful in the treatment of various disorders and diseases mediated by the activity of MDM2 and/or MDM4, or variants thereof, such as inflammatory or proliferative diseases or in the protection of cells.

  本发明涉及能够抑制p53或其变体与MDM2和/或MDM4或其变体相互作用的3-杂环基吲哚化合物，其中所述化合物具有式I，其中R1、R2、R3、R4、RA、Y和Y的定义见说明书。由于其活性，这些化合物可用于治疗由MDM2和/或MDM4或其变体介导的各种疾病和疾病，例如炎症性或增殖性疾病或细胞保护。
• (4-hydroxypyrrolidin-2-yl)-heterocyclic compounds and methods of use thereof
  申请人：Genentech, Inc.

  公开号：US11242344B2

  公开（公告）日：2022-02-08

  The present disclosure relates to bifunctional compounds, which can be used as modulators of targeted ubiquitination. In particular, the present disclosure is directed to compounds which contain on one end a VHL ligand moiety, which binds to the VHL E3 ubiquitin ligase, and on the other end a moiety that binds a target protein such that degradation of the target protein/polypeptide is effectuated. Also disclosed are VHL ligands.

  本公开涉及可用作靶向泛素化调节剂的双功能化合物。特别是，本公开涉及的化合物一端含有与 VHL E3 泛素连接酶结合的 VHL 配体分子，另一端含有与靶蛋白结合的分子，从而实现靶蛋白/多肽的降解。还公开了 VHL 配体。
• (4-HYDROXYPYRROLIDIN-2-YL)-HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Genentech, Inc.

  公开号：US20210309660A1

  公开（公告）日：2021-10-07

  The present disclosure relates to bifunctional compounds, which can be used as modulators of targeted ubiquitination. In particular, the present disclosure is directed to compounds which contain on one end a VHL ligand moiety, which binds to the VHL E3 ubiquitin ligase, and on the other end a moiety that binds a target protein such that degradation of the target protein/polypeptide is effectuated. Also disclosed are VHL ligands.