3-(2,5-二甲氧基苯基)-吡咯烷 | 938458-95-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 中文名称: 3-(2,5-二甲氧基苯基)-吡咯烷
• 英文名称: 4-(2,5-dimethoxyphenyl)-pyrrolidine
• 英文别名: 3-(2,5-Dimethoxyphenyl)pyrrolidine
• CAS: 938458-95-8
• 化学式: C₁₂H₁₇NO₂
• 分子量: 207.272
• InChiKey: CFXGZDPEXFOZFF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  30.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  1-(2-Fluorophenyl)-5-methyl-1H-pyrazole-4-carbaldehyde 、 3-(2,5-二甲氧基苯基)-吡咯烷 在 三乙酰氧基硼氢化钠 作用下， 生成 4-((3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl)methyl)-1-(2-fluorophenyl)-5-methyl-1H-pyrazole
  参考文献：
  名称：

  Smoothened antagonists for hair inhibition

  摘要：

  A series of aminomethylpyrazoles were prepared and evaluated using cell-based Smoothened beta-lactamase reporter assay and Smoothened binding assay. Potent Smoothened antagonists 10k and 10l were found to inhibit hair growth in vivo in the C3H/HeN mouse hair growth model. The more selective compound 10l was tested negative in the 3T3 NRU assay, indicating a low risk for causing photo-irritation and was efficacious using the C3H/HeN mouse hair growth model although it was slightly less efficacious than that of the reference compound eflornithine (7). (c) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.033

文献信息

• [EN] NOVEL PHENYL IMIDAZOLES AND PHENYL TRIAZOLES AS GAMMA-SECRETASE MODULATORS<br/>[FR] NOUVEAUX PHÉNYL IMIDAZOLES ET PHÉNYL TRIAZOLES EN TANT QUE MODULATEURS DE LA GAMMA SÉCRÉTASE
  申请人：PFIZER

  公开号：WO2010100606A1

  公开（公告）日：2010-09-10

  Compounds and pharmaceutically acceptable salts of the compounds are disclosed, wherein the compounds have the structure of Formula (I) as defined in the specification. Corresponding pharmaceutical compositions, methods of treatment, methods of synthesis, and intermediates are also disclosed.

  所述化合物及其药用可接受盐已被披露，其中所述化合物具有规范中定义的Formula (I)的结构。相应的药物组合物、治疗方法、合成方法和中间体也已被披露。
• Novel Phenyl Imidazoles and Phenyl Triazoles As Gamma-Secretase Modulators
  申请人：Allen Martin Patrick

  公开号：US20120053165A1

  公开（公告）日：2012-03-01

  Compounds and pharmaceutically acceptable salts of the compounds are disclosed, wherein the compounds have the structure of Formula (I) as defined in the specification. Corresponding pharmaceutical compositions, methods of treatment, methods of synthesis, and intermediates are also disclosed.

  本发明公开了具有式（I）所定义的结构的化合物及其药学上可接受的盐，同时公开了相应的制药组合物、治疗方法、合成方法和中间体。
• Smoothened antagonists for hair inhibition
  作者：Jie Jack Li、Veerabahu Shanmugasundaram、Satya Reddy、Laura L. Fleischer、Zenquan Wang、Yvonne Smith、William G. Harter、Wen-Song Yue、Manju Swaroop、Ling Li、Christy Xiaodong Ji、Danielle Dettling、Bella Osak、Laura R. Fitzgerald、Robert Conradi

  DOI：10.1016/j.bmcl.2010.06.033

  日期：2010.8

  A series of aminomethylpyrazoles were prepared and evaluated using cell-based Smoothened beta-lactamase reporter assay and Smoothened binding assay. Potent Smoothened antagonists 10k and 10l were found to inhibit hair growth in vivo in the C3H/HeN mouse hair growth model. The more selective compound 10l was tested negative in the 3T3 NRU assay, indicating a low risk for causing photo-irritation and was efficacious using the C3H/HeN mouse hair growth model although it was slightly less efficacious than that of the reference compound eflornithine (7). (c) 2010 Elsevier Ltd. All rights reserved.