1-(2,6-二甲基苯基)-2,2-二甲基-1-丙酮 | 25115-80-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(2,6-二甲基苯基)-2,2-二甲基-1-丙酮
• 英文名称: 2,6-Dimethylphenyl-tert-butylketon
• 英文别名: 2',2,2,6'-Tetramethylpropiophenone；1-(2,6-dimethylphenyl)-2,2-dimethylpropan-1-one
• CAS: 25115-80-4
• 化学式: C₁₃H₁₈O
• 分子量: 190.285
• InChiKey: FYRAKYLYXNTHDI-UHFFFAOYSA-N

物化性质

• 沸点：
  268.7±9.0 °C(Predicted)
• 密度：
  0.936±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2914399090

反应信息

• 作为反应物：
  描述：

  1-(2,6-二甲基苯基)-2,2-二甲基-1-丙酮 在 lithium aluminium tetrahydride 作用下， 生成 (+/-)-3,4-Bis-(2,6-dimethyl-phenyl)-2,2,5,5-tetramethyl-hexan
  参考文献：
  名称：

  某些1,2-二烷基-1,2-双（2,6-二甲基-苯基）乙烷的合成及质子磁共振研究

  摘要：

  合成了其中R 1为2，6-二甲基苯基且R 2为氢，甲基或叔丁基的R 1 R 2 CH-CHR 2 R 1类型的化合物，并分离了内消旋和外消旋异构体。这些化合物由PMR谱，包括的研究13 C-卫星和温度变化的影响，产生了关于配置，优先构象，和关于R中的障碍信息转1 CH键。

  DOI：

  10.1016/s0040-4020(01)82988-4
• 作为产物：
  描述：

  2,6-二甲基苯胺 生成 1-(2,6-二甲基苯基)-2,2-二甲基-1-丙酮
  参考文献：
  名称：

  某些1,2-二烷基-1,2-双（2,6-二甲基-苯基）乙烷的合成及质子磁共振研究

  摘要：

  合成了其中R 1为2，6-二甲基苯基且R 2为氢，甲基或叔丁基的R 1 R 2 CH-CHR 2 R 1类型的化合物，并分离了内消旋和外消旋异构体。这些化合物由PMR谱，包括的研究13 C-卫星和温度变化的影响，产生了关于配置，优先构象，和关于R中的障碍信息转1 CH键。

  DOI：

  10.1016/s0040-4020(01)82988-4

文献信息

• Heterocyclic antiviral compounds
  申请人：Lemoine Rcmy

  公开号：US20070191406A1

  公开（公告）日：2007-08-16

  Chemokine receptor antagonists, in particular, 3,7-diazabicyclo[3.3.0]octane compounds according to formula (I) wherein R 1 -R 3 R 6c and X 1 are as defined herein are antagonists of chemokine CCR5 receptors which are useful for treating or preventing an human immunodeficiency virus (HIV) infection, or treating AIDS or ARC. The invention further provides methods for treating diseases that are alleviated with CCR5 antagonists. The invention includes pharmaceutical compositions and methods of using the compounds for the treatment of these diseases. The invention further includes processes for the preparation of compounds according to formula I.

  化学因子受体拮抗剂，特别是根据以下公式（I）的3,7-二氮杂双环[3.3.0]辛烷化合物，其中R1-R3R6c和X1如本文所定义，是化学因子CCR5受体的拮抗剂，可用于治疗或预防人类免疫缺陷病毒（HIV）感染，或治疗艾滋病或ARC。该发明还提供了用于治疗通过CCR5拮抗剂缓解的疾病的方法。该发明包括用于治疗这些疾病的药物组合物和使用这些化合物的方法。该发明还包括根据公式I制备化合物的方法。
• NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF
  申请人：Yoshida Tomohiro

  公开号：US20100228026A1

  公开（公告）日：2010-09-09

  The invention provides a sulfonyl malonamide derivative, or a pharmacologically acceptable salt thereof or a solvate thereof, that has therapeutic and/or preventive effect(s) on various diseases due to its agonist action at AT 2 receptor, and is useful as a pharmaceutical agent for the treatment and/or prevention of diseases involving the renin-angiotensin-aldosterone system (RAAS).

  该发明提供了一种磺酰基马隆酰胺衍生物，或其药理学上可接受的盐或溶剂，由于其在AT2受体上的激动剂作用，对各种疾病具有治疗和/或预防作用，并且作为用于治疗和/或预防涉及肾素-血管紧张素-醛固酮系统（RAAS）疾病的药物剂形具有用处。
• L-Phenylalanine Derivatives
  申请人：Barry Simon Thomas

  公开号：US20090137601A1

  公开（公告）日：2009-05-28

  The present invention relates to compounds that inhibit of a5b1 function, processes for their preparation, pharmaceutical compositions containing them as the active ingredient, to their use as medicaments and to their use in the manufacture of medicaments for use in the treatment in warm blooded animals such as humans of diseases that have a significant angiogenesis or vascular component such as for treatment of solid tumours. The present invention also relates to compounds that inhibit a5b1, and also that exhibit appropriate selectivity profile(s) against other integrins.

  本发明涉及抑制a5b1功能的化合物，其制备过程，以及包含其作为活性成分的制药组合物，以及它们作为药物在温血动物（如人类）中治疗具有显著血管生成或血管成分的疾病，如实体肿瘤的制剂中的用途。本发明还涉及抑制a5b1的化合物，以及对其他整合素具有适当选择性谱的化合物。
• NON-PEPTIDIC QUENCHED FLUORESCENT IMAGING PROBES
  申请人：Bogyo Matthew S.

  公开号：US20140140930A1

  公开（公告）日：2014-05-22

  Methods and materials for the imaging of cells and tissues containing active proteases such as cathepsin are disclosed. The present materials include activity based probes that bind to an enzyme and are subsequently cleaved. Cleavage results in covalent attachment of a fluorescent signal to a target protease due to removal of a quenching group which, when present on the probe causes altered or no fluorescence. The probes are non-peptidic, small molecule scaffolds linked to a reactive acyloxymethyl ketone group, a fluorophore and a quencher. The probes are cell permeable and may use, for example, a QSY21 (CAS 304014-13-9) quencher and a cyanine dye. The probes form covalent bonds with the active site of cysteine cathepsins, proteases that are upregulated at the tumor boundaries with normal tissue and at sites of inflammation.
• MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS
  申请人：NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER

  公开号：US20170014419A1

  公开（公告）日：2017-01-19

  Provided are a novel medicament for suppressing or preventing the metastasis of a malignant tumor such as carcinoma, a novel treatment or prevention method for suppressing or preventing the metastasis of a malignant tumor, etc. The medicament comprises a non-peptidic angiotensin type 2 receptor agonist as an active ingredient. In the medicament, the non-peptidic angiotensin type 2 receptor agonist may be, for example, a sulfonyl malonamide compound. The medicament may be a medicament for use in combination with an anticancer agent and/or an antitumor agent.