Cyclohexanecarboxylic acid, 2,2-dimethyl-4-oxo-, (1R)- | 1187777-13-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Cyclohexanecarboxylic acid, 2,2-dimethyl-4-oxo-, (1R)-
• 英文别名: (1R)-2,2-dimethyl-4-oxocyclohexane-1-carboxylic acid
• CAS: 1187777-13-4
• 化学式: C₉H₁₄O₃
• 分子量: 170.208
• InChiKey: NZSQDCPBCNZMHB-ZETCQYMHSA-N

物化性质

• 沸点：
  301.6±35.0 °C(Predicted)
• 密度：
  1.108±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-N-甲基苄基-n-乙氧甲酰哌啶双盐酸盐 、 Cyclohexanecarboxylic acid, 2,2-dimethyl-4-oxo-, (1R)- 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 、 三乙胺 作用下， 以 氯仿 为溶剂， 反应 12.0h， 生成
  参考文献：
  名称：

  Design, synthesis and evaluation of a novel cyclohexanamine class of neuropeptide Y Y1 receptor antagonists

  摘要：

  A novel series of cyclohexanamine derivatives was designed and synthesized as potent and selective human neuropeptide Y Y1 receptor antagonists. Modification of high-throughput screening hit compound 1 resulted in the identification of compound 3i, which displays potent Y1 activity and good selectivity towards hERG K(+) channel and serotonin transporter. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.06.050

文献信息

• Design, synthesis and evaluation of a novel cyclohexanamine class of neuropeptide Y Y1 receptor antagonists
  作者：Kaimei Cho、Makoto Ando、Kensuke Kobayashi、Hiroshi Miyazoe、Toshiaki Tsujino、Sayaka Ito、Tomoki Suzuki、Takeshi Tanaka、Shigeru Tokita、Nagaaki Sato

  DOI：10.1016/j.bmcl.2009.06.050

  日期：2009.8

  A novel series of cyclohexanamine derivatives was designed and synthesized as potent and selective human neuropeptide Y Y1 receptor antagonists. Modification of high-throughput screening hit compound 1 resulted in the identification of compound 3i, which displays potent Y1 activity and good selectivity towards hERG K(+) channel and serotonin transporter. (C) 2009 Elsevier Ltd. All rights reserved.