1,4-双(2-甲基丙基)哌嗪 | 113900-59-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 1,4-双(2-甲基丙基)哌嗪
• 英文名称: N,N'-di(isobutyl)piperazine
• 英文别名: 1,4-Bis(2-methylpropyl)piperazine
• CAS: 113900-59-7
• 化学式: C₁₂H₂₆N₂
• 分子量: 198.352
• InChiKey: UPDQRASVKIEAAM-UHFFFAOYSA-N

物化性质

• 沸点：
  247.9±8.0 °C(Predicted)
• 密度：
  0.860±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  哌嗪 、 溴代异丁烷 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 28.0h， 生成 N-异丁基哌嗪 、 1,4-双(2-甲基丙基)哌嗪
  参考文献：
  名称：

  Ruthenium catalyzed reactions of ethylene glycol with primary amines: steric factors and selectivity control

  摘要：

  The selectivity of reactions of ethylene glycol with primary amines in the presence of RuCl2(PPh3)3 at 120-degrees-C is highly dependent on the steric nature of the amine. Selectivity to di-amination is favored by smaller alkyl groups on the amine while large amines cleanly yield ethanolamines. This contrasts with the results obtained with secondary amines at this temperature, in which ruthenium-triphenylphosphine catalyst systems always favor mono-amination. In the case of sec-butyl amine, where almost equal amounts of mono- and di-aminated product are obtained, the selectivity can be shifted to mono-amination by the addition of excess triphenylphosphine. The steric effects seen in these reactions are consistent with standard steric parameters available from the literature.

  DOI：

  10.1016/0022-328x(91)83143-r

文献信息

• IRAK DEGRADERS AND USES THEREOF
  申请人：Kymera Therapeutics, Inc.

  公开号：US20190192668A1

  公开（公告）日：2019-06-27

  The present invention provides compounds, compositions thereof, and methods of using the same.

  本发明提供了化合物、其组合物以及使用这些化合物的方法。
• [EN] IRAK DEGRADERS AND USES THEREOF<br/>[FR] AGENTS DE DÉGRADATION D'IRAK ET LEURS UTILISATIONS
  申请人：KYMERA THERAPEUTICS INC

  公开号：WO2020264499A1

  公开（公告）日：2020-12-30

  The present invention provides compounds, compositions thereof, and methods of using the same. The compounds include an IRAK binding moiety capable of binding to IRAK4 and a degradation inducing moiety (DIM). The DIM could be DTM a ligase binding moiety (LBM) or lysine mimetic. The compounds could be useful as IRAK protein kinase inhibitors and applied to IRAK mediated disorders.

  本发明提供了化合物、其组合物以及使用这些化合物的方法。这些化合物包括能够结合到IRAK4的IRAK结合基团和诱导降解的基团（DIM）。DIM可以是DTM、一个连接酶结合基团（LBM）或赖氨酸类似物。这些化合物可以作为IRAK蛋白激酶抑制剂，并应用于IRAK介导的疾病。
• TREATMENT OF CANCERS HAVING K-RAS MUTATIONS
  申请人：Curis, Inc.

  公开号：US20130102595A1

  公开（公告）日：2013-04-25

  The present invention provides a method of treating a cancer associated with a K-ras mutation in a subject in need thereof. The method comprises the steps of: (1) identifying a subject with a cancer associated with a K-ras mutation; and (2) administering to the subject (i) an inhibitor of PI3 kinase and (ii) an HDAC inhibitor, wherein the PI3 kinase inhibitor and the HDAC inhibitor are administered in amounts which together are therapeutically effective.

  本发明提供了一种治疗与K-ras突变相关的癌症的方法，适用于需要该方法的受试者。该方法包括以下步骤：（1）识别患有与K-ras突变相关的癌症的受试者；和（2）向受试者施用（i）PI3激酶抑制剂和（ii）HDAC抑制剂，其中PI3激酶抑制剂和HDAC抑制剂以联合治疗有效的剂量进行施用。
• Process for Isomerization of CIS-2-Pentenenitrile to 3-Pentenenitriles
  申请人：BASF SE

  公开号：US20130289299A1

  公开（公告）日：2013-10-31

  The present invention relates to an improved process for batchwise or continuous isomerization of cis-2-pentenenitrile to 3-pentenenitriles in the presence of 1,4-diazabicyclo[2.2.2]octane as catalyst.

  本发明涉及在1,4-二氮杂双环[2.2.2]辛烷存在下，对顺-2-戊烯腈进行批量或连续异构化改进过程，以得到3-戊烯腈。
• PHOSPHOINOSITIDE 3-KINASE INHIBITORS WITH A ZINC BINDING MOIETY
  申请人：Cai Xiong

  公开号：US20100222343A1

  公开（公告）日：2010-09-02

  The instant application relates to deazapurines, thienopyrimidines and furopyrimidines with zinc-binding moiety based derivatives and their use in the treatment of phosphoinositide 3-kinase related diseases and disorders such as cancer. The instant application further relates to the the treatment of histone deacetylase related disorders and diseases related to both histone deacetylase and phosphoinositide 3-kinase.

  本实用新型涉及具有基于锌结合基团的脱氮嘌呤、噻吩嘧啶和呋喃嘧啶衍生物及其在治疗与磷脂酰肌醇3-激酶相关的疾病和疾病方面的应用，例如癌症。本实用新型进一步涉及与组蛋白去乙酰化酶相关的疾病和同时涉及组蛋白去乙酰化酶和磷脂酰肌醇3-激酶相关的疾病的治疗。