2,2,4,4,5-pentamethyl-hexan-3-one | 21339-28-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2,4,4,5-pentamethyl-hexan-3-one
• 英文别名: 2,2,4,4,5-Pentamethyl-hexan-3-on；2,2,4,4,5-Pentamethylhexan-3-one
• CAS: 21339-28-6
• 化学式: C₁₁H₂₂O
• 分子量: 170.295
• InChiKey: FDIMNUMAFSLNIN-UHFFFAOYSA-N

物化性质

• 沸点：
  184.3±8.0 °C(Predicted)
• 密度：
  0.819±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  2,2,4,4,5-pentamethyl-hexan-3-one 在 乙醚 、 碘 作用下， 生成 2-tert-butyl-3,3,4-trimethyl-pent-1-ene
  参考文献：
  名称：

  Nasarow, Chemische Berichte, 1937, vol. 70, p. 620

  摘要：

  DOI：
• 作为产物：
  描述：

  乙基异丁酮 、 碘甲烷 在 乙醚 、 sodium amide 作用下， 生成 2,2,4,4,5-pentamethyl-hexan-3-one
  参考文献：
  名称：

  Nasarow, Chemische Berichte, 1937, vol. 70, p. 620

  摘要：

  DOI：

文献信息

• MONOCYCLIC COMPOUNDS AND THEIR USE AS TRPV1 LIGANDS
  申请人：Tafesse Laykea

  公开号：US20100120862A1

  公开（公告）日：2010-05-13

  The invention relates to compounds of formula I and pharmaceutically acceptable derivatives thereof, compositions comprising an effective amount of a compound of formula I or a pharmaceutically acceptable derivative thereof, and methods for treating or preventing a condition such as pain, UI, an ulcer, IBD and IBS, comprising administering to an animal in need thereof an effective amount of a compound of formula I or a pharmaceutically acceptable derivative thereof.

  本发明涉及公式I的化合物及其药学上可接受的衍生物，包括含有公式I化合物或其药学上可接受的衍生物的有效量的组合物，以及治疗或预防疼痛、尿失禁、溃疡、炎症性肠病（IBD）和肠易激综合征（IBS）等疾病的方法，包括向需要的动物施用公式I化合物或其药学上可接受的衍生物的有效量。
• HETEROCYCLIC TRPV1 RECEPTOR LIGANDS
  申请人：Tafesse Laykea

  公开号：US20100137306A1

  公开（公告）日：2010-06-03

  The invention relates to compounds of formulae I(a)-I(d): and pharmaceutically acceptable derivatives thereof, compositions comprising an effective amount of a compound of formulae I(a)-I(d) or a pharmaceutically acceptable derivative thereof, and methods for treating or preventing a condition such as pain, UI, an ulcer, IBD and IBS, comprising administering to an animal in need thereof an effective amount of a compound of formulae I(a)-I(d) or a pharmaceutically acceptable derivative thereof.

  该发明涉及以下化合物的化学式：I(a)-I(d)，及其药学上可接受的衍生物，包括含有化合物I(a)-I(d)或其药学上可接受的衍生物的有效量的组合物，以及用于治疗或预防疼痛、尿失禁、溃疡、炎症性肠病和肠易激综合征等疾病的方法，包括向需要的动物施用化合物I(a)-I(d)或其药学上可接受的衍生物的有效量。
• BICYCLOHETEROARYL COMPOUNDS AND THEIR USE AS TRPV1 LIGANDS
  申请人：TAFESSE LAYKEA

  公开号：US20100130499A1

  公开（公告）日：2010-05-27

  The invention relates to compounds of formula I and pharmaceutically acceptable derivatives thereof, compositions comprising an effective amount of a compound of formula I or a pharmaceutically acceptable derivative thereof, and methods for treating or preventing a condition such as pain, UI, an ulcer, IBD and IBS, comprising administering to an animal in need thereof an effective amount of a compound of formula I or a pharmaceutically acceptable derivative thereof.

  该发明涉及公式I的化合物及其药用可接受的衍生物，包含有效量的公式I化合物或其药用可接受的衍生物的组合物，以及治疗或预防疼痛、尿失禁、溃疡、炎症性肠病和肠易激综合征等疾病的方法，包括向需要治疗的动物施用公式I化合物或其药用可接受的衍生物的有效量。
• Compounds as TRVP1 Blockers, Pharmaceutical Compositions and Medical Uses Thereof
  申请人：Sun Qun

  公开号：US20120184509A1

  公开（公告）日：2012-07-19

  A kind of new compounds, and their pharmaceutically acceptable salts, and hydrates are disclosed. The pharmaceutical composition thereof is also provided. And also are the medical uses of the compounds, pharmaceutically acceptable salts, hydrates and the pharmaceutical composition for treating the TRPV1-mediate diseases.

  披露了一种新化合物及其药用盐和水合物。还提供了这些药物组合物。还提供了这些化合物、药用盐、水合物和药物组合物用于治疗TRPV1介导疾病的医疗用途。
• TRPV1 ANTAGONISTS INCLUDING DIHYDROXY SUBSTITUENT AND USES THEREOF
  申请人：Tafesse Laykea

  公开号：US20090170868A1

  公开（公告）日：2009-07-02

  The invention relates to compounds of formula IA and pharmaceutically acceptable derivatives thereof, compositions comprising an effective amount of a compound of formula IA or a pharmaceutically acceptable derivative thereof, and methods for treating or preventing a condition such as pain, UI, an ulcer, IBD and IBS, comprising administering to an animal in need thereof an effective amount of a compound of formula IA or a pharmaceutically acceptable derivative thereof.