(1-Isopropyl-piperidin-4-ylmethyl)-methyl-amine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: (1-Isopropyl-piperidin-4-ylmethyl)-methyl-amine
• 英文别名: N-methyl-1-(1-propan-2-ylpiperidin-4-yl)methanamine
• 化学式: C₁₀H₂₂N₂
• mdl: MFCD07643229
• 分子量: 170.298
• InChiKey: PFFLQCTXCLXCHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-苯氨磺酰基苯甲酸 、 (1-Isopropyl-piperidin-4-ylmethyl)-methyl-amine 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以31%的产率得到N-((1-isopropylpiperidin-4-yl)methyl)-N-methyl-4-(N-phenylsulfamoyl)benzamide
  参考文献：
  名称：

  Discovery of a Type III Inhibitor of LIM Kinase 2 That Binds in a DFG-Out Conformation

  摘要：

  The first allosteric, type III inhibitor of LIM-kinase 2 (LIMK2) is reported. A series of molecules that feature both an N-phenylsulfonamide and tertiary amide were not only very potent at LIMK2 but also were extremely selective against a panel of other kinases. Enzymatic kinetic studies showed these molecules to be noncompetitive with ATP, suggesting allosteric inhibition. X-ray crystallography confirmed that these sulfonamides are a rare example of a type III kinase inhibitor that binds away from the highly conserved hinge region and instead resides in the hydrophobic pocket formed in the DFG-out conformation of the kinase, thus accounting for the high level of selectivity observed.

  DOI：

  10.1021/ml500242y

文献信息

• [EN] BROMODOMAIN INHIBITORS AND USES THEREOF<br/>[FR] INHIBITEURS DE BROMODOMAINES ET LEURS UTILISATIONS
  申请人：GENENTECH INC

  公开号：WO2016077375A1

  公开（公告）日：2016-05-19

  The present invention relates to compounds of formula (I): [INSERT FORMULA (1)] and to salts thereof, wherein R1, R2, Rc, and Rd have any of the values defined in the specification, and compositions and uses thereof. The compounds are useful as inhibitors of bromodomains. Also included are pharmaceutical compositions comprising a compound of formula (I) or a pharmaceutically acceptable salt thereof, and methods of using such compounds and salts in the treatment of various bromodomain-mediated disorders.

  本发明涉及式(I)的化合物：[插入式(1)]及其盐，其中R1、R2、Rc和Rd具有规范中定义的任何值，以及其组合物和用途。这些化合物可用作溴结构域的抑制剂。还包括包含式(I)的化合物或其药学上可接受的盐的药物组合物，以及在治疗各种溴结构域介导的疾病中使用这些化合物和盐的方法。
• Macrocyclic Spiro Pyrimidine Derivatives
  申请人：Liu Huaqing

  公开号：US20090233904A1

  公开（公告）日：2009-09-17

  Macrocyclic spiro pyrimidine compounds, compositions comprising such compounds, methods for making the compounds, and methods of treating and preventing the progression of diseases, conditions, and disorders using such compounds and compositions are described herein.

  本文描述了大环螺环嘧啶化合物、包含这种化合物的组合物、制备这些化合物的方法，以及利用这种化合物和组合物治疗和预防疾病、病况和障碍的方法。
• [EN] SMALL MOLECULES FOR CANCER THERAPY THAT REDUCE THE EXPRESSION OF TRANSCRIPTION FACTORS KLF5 AND EGR-1<br/>[FR] PETITES MOLÉCULES POUR LA THÉRAPIE ANTI-CANCÉREUSE QUI RÉDUISENT L'EXPRESSION DES FACTEURS DE TRANSCRIPTION KLF5 ET EGR-1
  申请人：SCRIPPS RESEARCH INST

  公开号：WO2020210662A1

  公开（公告）日：2020-10-15

  The present disclosure provides compounds of formula (I), as described herein, their pharmaceutically acceptable salts, and their pharmaceutical compositions, which are effective in reducing the expression level of KLF5 or EGR1 in a living cell, and for the treatment of tumors and colorectal cancer in a human patient.

  本公开提供了如下所述的化合物(I)的公式，它们的药用盐以及药物组合物，这些化合物在减少活细胞中KLF5或EGR1的表达水平方面具有有效性，并用于治疗人类患者的肿瘤和结肠癌。
• MACROCYCLIC PYRIMIDINE DERIVATIVES
  申请人：Liu Huaqing

  公开号：US20090253678A1

  公开（公告）日：2009-10-08

  Macrocyclic pyrimidine compounds, compositions comprising such compounds, methods for making the compounds, and methods of treating and preventing the progression of diseases, conditions, and disorders using such compounds and compositions are described herein.

  本文描述了大环嘧啶化合物、包含此类化合物的组合物、制备此类化合物的方法以及使用此类化合物和组合物治疗和预防疾病、病症和障碍的方法。
• IMIDAZO[1,2-a]PYRIDINE COMPOUNDS AS RECEPTOR TYROSINE KINASE INHIBITORS
  申请人：Marmsater Fredrik P.

  公开号：US20100144751A1

  公开（公告）日：2010-06-10

  Compounds of Formula (I): are receptor tyrosine inhibitors useful in the treatment of diseases mediated by class (3) and class (5) receptor tyrosine kinases. Particular compounds of this invention have also been found to be inhibitors of Pim-1.

  化学式（I）的化合物是受体酪氨酸激酶抑制剂，可用于治疗由类（3）和类（5）受体酪氨酸激酶介导的疾病。该发明的特定化合物也被发现是Pim-1的抑制剂。