Piperazine, 1-ethyl-4-(3-methyl-1-oxobutyl)-

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: Piperazine, 1-ethyl-4-(3-methyl-1-oxobutyl)-
• 英文别名: 1-(4-ethylpiperazin-1-yl)-3-methylbutan-1-one
• 化学式: C₁₁H₂₂N₂O
• mdl: MFCD03396290
• 分子量: 198.31
• InChiKey: XJIVPZFOTSCNIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.909
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• [EN] ISOINDOLINONE AND INDAZOLE COMPOUNDS FOR THE DEGRADATION OF EGFR<br/>[FR] COMPOSÉS D'ISOINDOLINONE ET D'INDAZOLE POUR LA DÉGRADATION DE L'EGFR
  申请人：C4 THERAPEUTICS INC

  公开号：WO2021127561A1

  公开（公告）日：2021-06-24

  The invention provides compounds that degrade the epidermal growth factor receptor (EGFR) including mutant forms via the ubiquitination of the EGFR protein and subsequent proteasomal degradation. The compounds are useful for the treatment of various cancers.

  这项发明提供了通过泛素化表皮生长因子受体（EGFR）蛋白并随后的蛋白酶体降解来降解EGFR，包括突变形式的化合物。这些化合物对于治疗各种癌症是有用的。
• Compound
  申请人：Vicker Nigel

  公开号：US20100120789A1

  公开（公告）日：2010-05-13

  There is provided a compound having Formula I R 1 —Z—R 2 Formula I wherein R 1 is a group selected from optionally substituted fused polycyclic groups, substituted alkyl groups, branched alkyl groups, and optionally substituted cycloalkyl groups Z is a linker which is or comprises a carbonyl group or a isostere of a carbonyl group R 2 is selected from optionally substituted aromatic rings and optionally substituted heterocyclic rings wherein (a) R 2 is a 2-substituted thiophene group, and/or (b) Z is a group of the formula —C(═O)—CR 3 R 4 —X—(CR 5 R 6 )n-, wherein X is selected from NR 7 , S, O, S═O, and S(═O) 2 , wherein n is 0 or 1 and/or (c) R 1 is an adamantyl group and Z is or comprises an amide group, and/or (d) R 1 is an adamantyl group and Z is or comprises a group of the formula —(CR 8 R 9 )p- NR 10 —S(═O) 2 —(CR 11 R 12 )q-, wherein p is 0 or 1 and q is 0 or 1 and/or (e) R 1 is an adamantyl group and Z is or comprises a group of the formula —(CR 13 R 14 )v-Y—(CR 15 R 16 )w- where Y is a heteroaryl group in which a bond in the heteroaryl ring is a isostere of a carbonyl group, wherein v is o or 1 and w is 0 or 1; wherein each of R 3 , R 4 , R 5 , R 6 , R 8 , R 9 , R 11 , R 12 , R 13 , R 14 , R 15 and R 16 , are independently selected from H, hydrocarbyl and halogen, wherein each of R 7 and R 10 are independently selected from H and hydrocarbyl.

  提供了一种具有IR1-Z-R2式的化合物，其中： R1是从可选取代的融合多环基团，取代的烷基基团，分支烷基基团和可选取代的环烷基基团中选择的基团； Z是或包括一个羰基或羰基的同分异构体的连接基团； R2是从可选取代的芳香环和可选取代的杂环中选择的基团，其中 (a) R2是2-取代噻吩基团，和/或 (b) Z是公式-C（═O）-CR3R4-X-（CR5R6）n-的基团，其中X从NR7，S，O，S═O和S（═O）2中选择，n为0或1，和/或 (c) R1是金刚烷基团，Z是或包括酰胺基团，和/或 (d) R1是金刚烷基团，Z是或包括公式-CR8R9p-NR10-S（═O）2-（CR11R12）q-的基团，其中p为0或1，q为0或1，和/或 (e) R1是金刚烷基团，Z是或包括公式（CR13R14）v-Y-（CR15R16）w-的基团，其中Y是杂环基团，其中杂环环中的一个键是羰基的同分异构体，v为0或1，w为0或1； 其中R3，R4，R5，R6，R8，R9，R11，R12，R13，R14，R15和R16中的每一个独立选择自H，烃基和卤素，其中R7和R10各自独立选择自H和烃基。
• [EN] DEGRADERS OF GRK2 AND USES THEREOF<br/>[FR] AGENTS DE DÉGRADATION DE GRK2 ET LEURS UTILISATIONS
  申请人：CYGNAL THERAPEUTICS INC

  公开号：WO2022159688A1

  公开（公告）日：2022-07-28

  Provided herein are compounds (e.g., compounds of Formulae (A-I), (B-I), (C-I)), and pharmaceutically acceptable salts, stereoisomers, tautomers, isotopically labeled derivatives, solvates, hydrates, polymorphs, co-crystals, and prodrugs thereof, pharmaceutical compositions thereof, and kits comprising the same. The compounds provided herein are degraders of GRK2 proteins and are therefore useful for,e.g., treating and/or preventing diseases (e.g., cancer) in a subject, for inhibiting tumor growth in a subject, for inhibiting the activity of GRK2 and/or degrading a GRK2 protein in vitro or in vivo, etc. In certain embodiments, the compounds provided herein are selective for GRK2. Also provided herein are methods and synthetic intermediates useful in the preparation of compounds described herein.

  本文提供了化合物（例如，式（A-I）、（B-I）、（C-I）的化合物），以及其药学上可接受的盐、立体异构体、互变异构体、同位素标记衍生物、溶剂化物、水合物、多晶体、共晶体和其前药，以及其制备的药物组合物和包含它们的试剂盒。本文提供的化合物是GRK2蛋白降解剂，因此可用于治疗和/或预防受试者的疾病（例如，癌症），抑制受试者的肿瘤生长，抑制在体内或体外GRK2的活性和/或降解GRK2蛋白等。在某些实施例中，本文提供的化合物对GRK2具有选择性。本文还提供了制备所述化合物的方法和合成中间体。
• Diaminopyrimidine benzenesulfone derivatives and uses thereof
  申请人：Dana-Farber Cancer Institute, Inc.

  公开号：US10730860B2

  公开（公告）日：2020-08-04

  The present invention provides compounds of Formula (II) (e.g., compounds of Formula (I)), and pharmaceutically compositions thereof. Compounds of Formula (II) are believed to be binders of bromodomains and/or bromodomain-containing proteins (e.g., bromo and extra terminal (BET) proteins). Also provided are methods, uses, and kits using the compounds and pharmaceutical compositions for inhibiting the activity (e.g., increased activity) of bromodomains and/or bromodomain-containing proteins and for treating and/or preventing in a subject diseases associated with bromodomains or bromodomain-containing proteins (e.g., proliferative diseases, cardiovascular diseases, viral infections, fibrotic diseases, metabolic diseases, endocrine diseases, and radiation poisoning). The compounds, pharmaceutical compositions, and kits are also useful for male contraception.

  本发明提供了式(II)化合物（如式(I)化合物）及其药用组合物。据信，式（II）化合物是溴结构域和/或含溴结构域蛋白质（如溴外末端（BET）蛋白质）的结合剂。还提供了使用这些化合物和药物组合物的方法、用途和试剂盒，这些化合物和药物组合物用于抑制溴基链和/或含溴基链蛋白的活性（如活性增加），并用于治疗和/或预防受试者与溴基链或含溴基链蛋白相关的疾病（如增殖性疾病、心血管疾病、病毒感染、纤维化疾病、代谢性疾病、内分泌疾病和辐射中毒）。这些化合物、药物组合物和试剂盒还可用于男性避孕。
• DIAMINOPYRIMIDINE BENZENESULFONE DERIVATIVES AND USES THEREOF
  申请人：DANA -FARBER CANCER INSTITUTE, INC.

  公开号：US20160332993A1

  公开（公告）日：2016-11-17

  The present invention provides compounds of Formula (II) (e.g., compounds of Formula (I)), and pharmaceutically compositions thereof. Compounds of Formula (II) are believed to be binders of bromodomains and/or bromodomain-containing proteins (e.g., bromo and extra terminal (BET) proteins). Also provided are methods, uses, and kits using the compounds and pharmaceutical compositions for inhibiting the activity (e.g., increased activity) of bromodomains and/or bromodomain-containing proteins and for treating and/or preventing in a subject diseases associated with bromodomains or bromodomain-containing proteins (e.g., proliferative diseases, cardiovascular diseases, viral infections, fibrotic diseases, metabolic diseases, endocrine diseases, and radiation poisoning). The compounds, pharmaceutical compositions, and kits are also useful for male contraception.