Tert-butyl 4-[4-(propan-2-YL)phenyl]piperazine-1-carboxylate | 1121599-93-6

• 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: Tert-butyl 4-[4-(propan-2-YL)phenyl]piperazine-1-carboxylate
• 英文别名: tert-butyl 4-(4-propan-2-ylphenyl)piperazine-1-carboxylate
• CAS: 1121599-93-6
• 化学式: C₁₈H₂₈N₂O₂
• 分子量: 304.433
• InChiKey: XRGJJWHJICKUBJ-UHFFFAOYSA-N

物化性质

• 沸点：
  416.6±45.0 °C(predicted)
• 密度：
  1.049±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  32.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Tert-butyl 4-[4-(propan-2-YL)phenyl]piperazine-1-carboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 4-[4-(1-甲基乙基)苯基]哌嗪
  参考文献：
  名称：

  Discovery of small molecules that inhibit melanogenesis via regulation of tyrosinase expression

  摘要：

  5,6,7,8-Tetrahydro-4H-cyclohepta[d]isoxazole derivatives were synthesized and evaluated as a novel class of inhibitors for alpha-melanocyte-stimulating hormone (alpha-MSH) induced melanogenesis in a mouse melanoma B16F10 cell line. Compound 8e (IC50 = 0.67 mu M), 8h (IC50 = 1.01 mu M) and 9b (IC50 = 0.99 mu M) exhibited a potent inhibitory activity approximately 85- to 126-fold greater than kojic acid, a well-known potent inhibitor. A biochemical study indicates that the activity of this series should be displayed via down-regulation of the expression of tyrosinase. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.09.003
• 作为产物：
  描述：

  4-溴异丙苯 、 N-Boc-哌嗪 在 tris-(dibenzylideneacetone)dipalladium(0) 、 potassium tert-butylate 、 三(邻甲基苯基)磷 作用下， 以 甲苯 为溶剂， 反应 18.0h， 生成 Tert-butyl 4-[4-(propan-2-YL)phenyl]piperazine-1-carboxylate
  参考文献：
  名称：

  Discovery of small molecules that inhibit melanogenesis via regulation of tyrosinase expression

  摘要：

  5,6,7,8-Tetrahydro-4H-cyclohepta[d]isoxazole derivatives were synthesized and evaluated as a novel class of inhibitors for alpha-melanocyte-stimulating hormone (alpha-MSH) induced melanogenesis in a mouse melanoma B16F10 cell line. Compound 8e (IC50 = 0.67 mu M), 8h (IC50 = 1.01 mu M) and 9b (IC50 = 0.99 mu M) exhibited a potent inhibitory activity approximately 85- to 126-fold greater than kojic acid, a well-known potent inhibitor. A biochemical study indicates that the activity of this series should be displayed via down-regulation of the expression of tyrosinase. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.09.003

文献信息

• Inhibitors of VEGF receptor and HGF receptor signaling
  申请人：Saavedra Mario Oscar

  公开号：US20070004675A1

  公开（公告）日：2007-01-04

  The invention relates to the inhibition of VEGF receptor signaling and HGF receptor signaling. The invention provides compounds and methods for inhibiting VEGF receptor signaling and HGF receptor signaling. The invention also provides compositions and methods for treating cell proliferative diseases and conditions

  该发明涉及抑制VEGF受体信号和HGF受体信号。该发明提供了抑制VEGF受体信号和HGF受体信号的化合物和方法。该发明还提供了治疗细胞增殖性疾病和病况的组合物和方法。
• Inhibitors of protein tyrosine kinase activity
  申请人：Raeppel Stephane

  公开号：US20080004273A1

  公开（公告）日：2008-01-03

  This invention relates to compounds that inhibit protein tyrosine kinase activity. In particular the invention relates to compounds that inhibit the protein tyrosine kinase activity of growth factor receptors, resulting in the inhibition of receptor signaling, for example, the inhibition of VEGF receptor signaling and HGF receptor signaling. More particularly, the invention relates to compounds, compositions and methods for the inhibition of VEGF receptor signaling and HGF receptor signaling. The invention also provides compositions and methods for treating cell proliferative diseases and conditions.

  这项发明涉及抑制蛋白酪氨酸激酶活性的化合物。具体而言，该发明涉及抑制生长因子受体蛋白酪氨酸激酶活性的化合物，导致受体信号传导的抑制，例如抑制VEGF受体信号传导和HGF受体信号传导。更具体地，该发明涉及用于抑制VEGF受体信号传导和HGF受体信号传导的化合物、组合物和方法。该发明还提供了用于治疗细胞增殖性疾病和病况的组合物和方法。
• INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY
  申请人：Saavedra Mario Oscar

  公开号：US20080064718A1

  公开（公告）日：2008-03-13

  This invention relates to compounds that inhibit protein tyrosine kinase activity. In particular the invention relates to compounds that inhibit the protein tyrosine kinase activity of growth factor receptors, resulting in the inhibition of receptor signaling, for example, the inhibition of VEGF receptor signaling and HGF receptor signaling. More particularly, the invention relates to compounds, compositions and methods for the inhibition of VEGF receptor signaling and HGF receptor signaling. The invention also provides compositions and methods for treating cell proliferative diseases and conditions.

  本发明涉及抑制蛋白酪氨酸激酶活性的化合物。特别是，本发明涉及抑制生长因子受体蛋白酪氨酸激酶活性的化合物，从而抑制受体信号传导，例如抑制VEGF受体信号和HGF受体信号的传导。更具体地，本发明涉及用于抑制VEGF受体信号和HGF受体信号的化合物、组合物和方法。本发明还提供了用于治疗细胞增殖性疾病和病状的组合物和方法。
• KINASE INHIBITORS AND USES THEREOF
  申请人：Raeppel Stephane

  公开号：US20080255155A1

  公开（公告）日：2008-10-16

  This invention relates to compounds that inhibit protein tyrosine kinase activity. In particular the invention relates to compounds, compositions and methods for the inhibition of kinase activity. The invention also provides compounds, compositions and methods for treating cell proliferative diseases and conditions.

  本发明涉及抑制蛋白酪氨酸激酶活性的化合物。具体而言，本发明涉及抑制激酶活性的化合物、组合物和方法。本发明还提供用于治疗细胞增殖性疾病和病症的化合物、组合物和方法。
• 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS
  申请人：Tsou Hwei-Ru

  公开号：US20100068204A1

  公开（公告）日：2010-03-18

  Compounds of the formula I and pharmaceutically acceptable salts thereof, wherein A, B, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , and R 7 are defined as set forth herein are disclosed. Also disclosed are pharmaceutical compositions comprising the compounds of the invention and a pharmaceutically acceptable carrier, methods of making the compounds of the invention and methods of using the compounds for inhibiting mTOR and PI3 kinases and for treating cancers.

  本文披露了化学式I及其药学上可接受的盐的化合物，其中A、B、R1、R2、R3、R4、R5、R6和R7的定义如本文所述。本文还披露了包含本发明化合物和药学上可接受的载体的制药组合物，制备本发明化合物的方法以及使用本化合物抑制mTOR和PI3激酶并治疗癌症的方法。